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Z57785698
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CCc3ccccc3)c2=[NH2+])cc1
Formula: C26H23N4O3S+
MW: 471.56 | LogP: 1.69
TPSA: 99.03
Patterns:
Z57780858
[H]/N=c1/c(C(=O)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc2n1CCc1ccccc1
Formula: C26H27N5O2
MW: 441.54 | LogP: 3.35
TPSA: 92.25
Patterns:
Z1213738863
COc1ccc(CCn2c(=[NH2+])c(C(=O)NCc3cccnc3)cc3c(=O)n4cccc(C)c4nc32)cc1
Formula: C28H27N6O3+
MW: 495.56 | LogP: 1.19
TPSA: 116.11
Patterns:
Z1213740102
[NH2+]=c1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1
Formula: C26H21N6O4+
MW: 481.49 | LogP: 0.41
TPSA: 125.34
Patterns:
Z1213651839
Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=[NH2+])n(CCCn4ccnc4)c3nc12
Formula: C27H28N7O2+
MW: 482.57 | LogP: 0.88
TPSA: 111.81
Patterns:
Z1213740102
[H]/N=c1/c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1
Formula: C26H20N6O4
MW: 480.48 | LogP: 2.23
TPSA: 123.60
Patterns:
Z56327358
[NH2+]=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1
Formula: C23H24N5O3+
MW: 418.48 | LogP: 1.01
TPSA: 107.13
Patterns:
Z1213651839
Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=[NH2+])n(CCCn4cc[nH+]c4)c3nc12
Formula: C27H29N7O2+2
MW: 483.58 | LogP: 0.30
TPSA: 113.06
Patterns:
Z104344420
Cc1cccn2c(=O)c3cc(C(=O)NCCCn4cc[nH+]c4)n(C)c3nc12
Formula: C19H21N6O2+
MW: 365.42 | LogP: 0.93
TPSA: 87.47
Patterns:
Z20006735
O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1cc(=O)n2cc(Br)ccc2n1
Formula: C18H17BrN4O5
MW: 449.26 | LogP: 1.36
TPSA: 110.08
Patterns:
Z57780857
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=[NH2+])n(CCc4ccccc4)c3nc12
Formula: C26H24N5O3+
MW: 454.51 | LogP: 1.38
TPSA: 107.13
Patterns:
Z18875956
O=C(CNC(=O)c1cccc(OC(F)F)c1)OCc1cc(=O)n2cc(Br)ccc2n1
Formula: C19H14BrF2N3O5
MW: 482.24 | LogP: 2.53
TPSA: 99.00
Patterns:
Z57031292
Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c1C
Formula: C22H24BrN3O5S
MW: 522.42 | LogP: 3.10
TPSA: 106.84
Patterns:
Z56327467
[H]/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1
Formula: C21H18N4O3
MW: 374.40 | LogP: 2.35
TPSA: 89.45
Patterns:
Z56327467
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=[NH2+]
Formula: C21H19N4O3+
MW: 375.41 | LogP: 0.53
TPSA: 91.19
Patterns:
Z56327510
C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccccc2)c1=[NH2+]
Formula: C24H24N5O2+
MW: 414.49 | LogP: 0.78
TPSA: 93.99
Patterns:
ulfkktlib_2470
O=C(c1ccccc1)C(/C=N/c1cnc2ccc(Cl)cn2c1=O)C(=O)c1ccccc1
Formula: C24H16ClN3O3
MW: 429.86 | LogP: 4.43
TPSA: 80.87
Patterns:
Z57780857
[H]/N=c1/c(C(=O)NCc2ccco2)cc2c(=O)n3cccc(C)c3nc2n1CCc1ccccc1
Formula: C26H23N5O3
MW: 453.50 | LogP: 3.20
TPSA: 105.39
Patterns:
Z57783661
[NH2+]=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1
Formula: C22H16ClN4O4S+
MW: 467.91 | LogP: 1.44
TPSA: 112.17
Patterns:
Z57783660
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=[NH2+])cc1
Formula: C23H19N4O4S+
MW: 447.50 | LogP: 1.09
TPSA: 112.17
Patterns: