Molecular Properties | |
SMILES: | N#Cc1cccc(C(=O)NCCn2c(=O)n(Cc3ccccc3)c3cccnc32)c1 |
MW: | 397.15 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 92.71 |
cLogP: | 2.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7002727245 |
MolPort: | MolPort-028-859-137 |
MAR-TRE-04c86cea-54
0.816
MAR-TRE-f6f5f473-42
0.807
MAR-TRE-f6f5f473-41
0.789
MAR-TRE-3e4e6814-64
0.663
MAR-TRE-74c6519b-59
0.500
MAR-TRE-f6f5f473-93
0.495
MAR-TRE-04c86cea-88
0.467
MAR-TRE-f6f5f473-61
0.462
MAR-TRE-3e4e6814-94
0.445
MAR-TRE-3e4e6814-51
0.444
MAR-TRE-d0525fbf-66
0.439
MAR-TRE-d0525fbf-88
0.438
MAR-TRE-3e4e6814-70
0.435
MAR-TRE-3e4e6814-71
0.434
MAR-TRE-74c6519b-11
0.416
MAR-TRE-4b834d9a-93
0.363
MAR-TRE-f6f5f473-89
0.361
MAR-TRE-04c86cea-55
0.354
MAR-TRE-f6f5f473-7
0.336
MAR-TRE-04c86cea-92
0.333
MAR-TRE-4b834d9a-41
0.330
MAR-TRE-b77b7921-69
0.330
MAR-TRE-4b834d9a-34
0.330
MAR-TRE-4b834d9a-50
0.327
MAR-TRE-3e4e6814-99
0.327
MAR-TRE-3e4e6814-5
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MAR-TRE-04c86cea-2
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MAR-TRE-74c6519b-36
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MAR-TRE-04c86cea-30
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MAR-TRE-04c86cea-50
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MAR-TRE-f6f5f473-18
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MAR-TRE-f6f5f473-94
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MAR-TRE-4b834d9a-72
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MAR-TRE-3e4e6814-30
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MAR-TRE-f6f5f473-1
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MAR-TRE-3e4e6814-73
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MAR-TRE-3e4e6814-18
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MAR-TRE-4b834d9a-28
0.311
MAR-TRE-f6f5f473-21
0.310
MAR-TRE-04c86cea-61
0.310
MAR-TRE-3e4e6814-44
0.306
MAR-TRE-74c6519b-65
0.306
MAR-TRE-b77b7921-60
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MAR-TRE-4b834d9a-55
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MAR-TRE-04c86cea-60
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MAR-TRE-f6f5f473-40
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GAB-FAC-0d239413-1
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MAR-TRE-04c86cea-69
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MAR-TRE-f6f5f473-55
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MAR-TRE-74c6519b-77
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MAR-TRE-4b834d9a-12
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MAR-TRE-3e4e6814-1
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MAR-TRE-b77b7921-11
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MAR-TRE-b77b7921-43
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MAR-TRE-f6f5f473-82
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MAR-TRE-4b834d9a-23
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MAR-TRE-d0525fbf-23
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MAR-TRE-9c797165-18
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MAR-TRE-4b834d9a-2
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MAR-TRE-4b834d9a-52
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MAR-TRE-3e4e6814-72
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MAR-TRE-3e4e6814-69
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MAR-TRE-7f7bb9f0-39
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MAR-TRE-3e4e6814-12
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MAR-TRE-f6f5f473-53
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MAR-TRE-04c86cea-58
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MAR-TRE-7f7bb9f0-87
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MAR-TRE-04c86cea-74
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MAR-TRE-f6f5f473-96
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MAR-TRE-74c6519b-60
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MAR-TRE-d0525fbf-79
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MAR-TRE-4b834d9a-3
0.289
MAR-TRE-04c86cea-52
0.289
MAR-TRE-04c86cea-21
0.289
MAR-TRE-f6f5f473-20
0.289
MAR-TRE-d0525fbf-6
0.289
MAR-TRE-04c86cea-12
0.289
MAR-TRE-4b834d9a-99
0.288
MAR-TRE-3159af1a-25
0.288
MAR-TRE-b77b7921-27
0.288
MAR-TRE-04c86cea-45
0.287
MAR-TRE-3e4e6814-14
0.287
MAR-TRE-f6f5f473-66
0.286
MAR-TRE-7f7bb9f0-71
0.286
MAR-TRE-4b834d9a-8
0.286
MAR-TRE-74c6519b-89
0.286
MAR-TRE-3e4e6814-3
0.284
MAR-TRE-7f7bb9f0-17
0.284
MAR-TRE-b77b7921-25
0.283
MAR-TRE-74c6519b-25
0.283
MAR-TRE-9c797165-78
0.283
MAR-TRE-b77b7921-62
0.283
MAR-TRE-3e4e6814-7
0.282
MAR-TRE-67513f76-18
0.282
MAR-TRE-4b834d9a-32
0.282
MAR-TRE-4b834d9a-10
0.281
MAR-TRE-4b834d9a-25
0.281
MAR-TRE-b77b7921-65
0.280
MAR-TRE-4b834d9a-76
0.280
MAR-TRE-4b834d9a-69
0.280