Molecular Properties | |
SMILES: | N#Cc1cccc(C(=O)NCCn2c(=O)n(Cc3ccc(F)cc3)c3cccnc32)c1 |
MW: | 415.14 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 92.71 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5683831528 |
MolPort: | MolPort-028-859-259 |
MAR-TRE-f6f5f473-42
0.830
MAR-TRE-04c86cea-14
0.816
MAR-TRE-f6f5f473-41
0.734
MAR-TRE-04c86cea-88
0.576
MAR-TRE-d0525fbf-88
0.561
MAR-TRE-d0525fbf-66
0.560
MAR-TRE-3e4e6814-64
0.531
MAR-TRE-74c6519b-11
0.514
MAR-TRE-74c6519b-59
0.505
MAR-TRE-f6f5f473-93
0.500
MAR-TRE-f6f5f473-61
0.467
MAR-TRE-3e4e6814-70
0.454
MAR-TRE-3e4e6814-71
0.453
MAR-TRE-3e4e6814-94
0.412
MAR-TRE-3e4e6814-51
0.411
MAR-TRE-04c86cea-73
0.366
MAR-TRE-d0525fbf-17
0.363
MAR-TRE-d0525fbf-67
0.352
MAR-TRE-d0525fbf-60
0.345
MAR-TRE-b77b7921-49
0.340
MAR-TRE-b77b7921-76
0.340
MAR-TRE-4b834d9a-60
0.339
MAR-TRE-9c797165-78
0.336
MAR-TRE-7f7bb9f0-71
0.336
MAR-TRE-b77b7921-14
0.333
MAR-TRE-d0525fbf-32
0.331
MAR-TRE-04c86cea-52
0.330
MAR-TRE-74c6519b-87
0.328
MAR-TRE-4b834d9a-35
0.322
MAR-TRE-04c86cea-63
0.322
MAR-TRE-f6f5f473-17
0.322
MAR-TRE-d0525fbf-71
0.320
MAR-TRE-04c86cea-74
0.319
MAR-TRE-d0525fbf-21
0.319
MAR-TRE-4b834d9a-69
0.319
MAR-TRE-4b834d9a-76
0.319
MAR-TRE-04c86cea-2
0.316
MAR-TRE-d0525fbf-37
0.316
MAR-TRE-67513f76-15
0.314
MAR-TRE-d0525fbf-1
0.314
MAR-TRE-4b834d9a-2
0.312
MAR-TRE-7f7bb9f0-70
0.311
MAR-TRE-74c6519b-70
0.311
MAR-TRE-4b834d9a-54
0.310
MAR-TRE-74c6519b-30
0.310
MAR-TRE-4b834d9a-18
0.308
MAR-TRE-3e4e6814-73
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MAR-TRE-3e4e6814-75
0.306
MAR-TRE-74c6519b-21
0.306
MAR-TRE-04c86cea-12
0.306
MAR-TRE-7f7bb9f0-22
0.305
MAR-TRE-67513f76-11
0.304
MAR-TRE-b77b7921-59
0.304
MAR-TRE-f6f5f473-66
0.304
MAR-TRE-d0525fbf-70
0.303
MAR-TRE-7f7bb9f0-78
0.303
MAR-TRE-b77b7921-43
0.303
MAR-TRE-4b834d9a-11
0.303
MAR-TRE-4b834d9a-14
0.302
MAR-TRE-9c797165-23
0.302
MAR-TRE-67513f76-23
0.301
MAR-TRE-67513f76-72
0.301
MAR-TRE-d0525fbf-68
0.301
MAR-TRE-d0525fbf-15
0.298
MAR-TRE-4b834d9a-25
0.298
MAR-TRE-74c6519b-2
0.298
GAB-FAC-0d239413-1
0.295
MAR-TRE-d0525fbf-31
0.295
MAR-TRE-b77b7921-7
0.295
MAR-TRE-4b834d9a-99
0.295
MAR-TRE-74c6519b-86
0.294
MAR-TRE-b77b7921-27
0.294
MAR-TRE-4b834d9a-41
0.292
MAR-TRE-67513f76-62
0.292
MAR-TRE-7f7bb9f0-24
0.292
MAR-TRE-d0525fbf-23
0.291
MAR-TRE-74c6519b-75
0.289
MAR-TRE-7f7bb9f0-3
0.289
MAR-TRE-4b834d9a-93
0.289
MAR-TRE-74c6519b-1
0.289
MAR-TRE-4b834d9a-72
0.288
MAR-TRE-7f7bb9f0-77
0.288
MAR-TRE-d0525fbf-44
0.288
MAR-TRE-f6f5f473-92
0.288
MAR-TRE-7f7bb9f0-39
0.287
MAR-TRE-b77b7921-20
0.287
MAR-TRE-f6f5f473-1
0.287
MAR-TRE-7f7bb9f0-7
0.286
MAR-TRE-7f7bb9f0-73
0.286
MAR-TRE-9c797165-85
0.286
MAR-TRE-4b834d9a-55
0.286
MAR-TRE-04c86cea-60
0.286
MAR-TRE-f6f5f473-40
0.286
MAR-TRE-f6f5f473-54
0.286
MAR-TRE-d0525fbf-7
0.285
MAR-TRE-b77b7921-6
0.285
MAR-TRE-b77b7921-21
0.285
MAR-TRE-04c86cea-9
0.285
MAR-TRE-d0525fbf-28
0.284
MAR-TRE-3159af1a-25
0.283