Molecular Properties | |
SMILES: | O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)[C@H]1CCOC1 |
MW: | 384.16 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 1.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-3e4e6814-71
0.815
MAR-TRE-d0525fbf-66
0.733
MAR-TRE-3e4e6814-51
0.697
MAR-TRE-74c6519b-11
0.649
MAR-TRE-04c86cea-88
0.637
MAR-TRE-3e4e6814-70
0.596
MAR-TRE-04c86cea-54
0.561
MAR-TRE-f6f5f473-61
0.515
MAR-TRE-74c6519b-59
0.510
MAR-TRE-3e4e6814-94
0.510
MAR-TRE-f6f5f473-93
0.505
MAR-TRE-3e4e6814-64
0.490
MAR-TRE-f6f5f473-42
0.453
MAR-TRE-04c86cea-14
0.438
MAR-TRE-f6f5f473-41
0.393
MAR-TRE-04c86cea-73
0.390
MAR-TRE-d0525fbf-32
0.387
MAR-TRE-7f7bb9f0-71
0.383
MAR-TRE-04c86cea-63
0.381
MAR-TRE-d0525fbf-60
0.367
MAR-TRE-b77b7921-76
0.364
MAR-TRE-4b834d9a-60
0.363
MAR-TRE-67513f76-62
0.358
MAR-TRE-67513f76-15
0.357
MAR-TRE-b77b7921-14
0.355
MAR-TRE-3e4e6814-75
0.353
MAR-TRE-04c86cea-52
0.352
MAR-TRE-4b834d9a-76
0.352
MAR-TRE-b77b7921-49
0.350
MAR-TRE-b77b7921-59
0.349
MAR-TRE-d0525fbf-17
0.349
MAR-TRE-74c6519b-75
0.346
MAR-TRE-4b834d9a-35
0.343
MAR-TRE-f6f5f473-17
0.343
MAR-TRE-7f7bb9f0-65
0.340
MAR-TRE-3e4e6814-20
0.337
MAR-TRE-d0525fbf-67
0.337
MAR-TRE-d0525fbf-37
0.336
MAR-TRE-b77b7921-7
0.336
MAR-TRE-9c797165-23
0.333
MAR-TRE-9c797165-78
0.333
MAR-TRE-74c6519b-30
0.330
MAR-TRE-04c86cea-74
0.327
MAR-TRE-d0525fbf-21
0.327
MAR-TRE-f6f5f473-54
0.327
MAR-TRE-3e4e6814-73
0.327
MAR-TRE-74c6519b-87
0.325
MAR-TRE-04c86cea-9
0.325
MAR-TRE-7f7bb9f0-22
0.324
MAR-TRE-04c86cea-2
0.324
MAR-TRE-67513f76-11
0.324
MAR-TRE-f6f5f473-66
0.324
MAR-TRE-7f7bb9f0-78
0.324
MAR-TRE-d0525fbf-70
0.322
MAR-TRE-4b834d9a-11
0.321
MAR-TRE-d0525fbf-1
0.321
MAR-TRE-4b834d9a-14
0.321
MAR-TRE-67513f76-72
0.319
MAR-TRE-3e4e6814-19
0.319
MAR-TRE-7f7bb9f0-70
0.319
MAR-TRE-4b834d9a-54
0.318
MAR-TRE-4b834d9a-55
0.317
MAR-TRE-4b834d9a-69
0.315
MAR-TRE-4b834d9a-18
0.315
MAR-TRE-9c797165-85
0.315
MAR-TRE-f6f5f473-89
0.315
MAR-TRE-74c6519b-16
0.313
MAR-TRE-04c86cea-12
0.313
MAR-TRE-74c6519b-86
0.312
MAR-TRE-3e4e6814-25
0.310
MAR-TRE-b77b7921-43
0.310
MAR-TRE-04c86cea-72
0.310
MAR-TRE-f6f5f473-50
0.310
MAR-TRE-4b834d9a-2
0.308
MAR-TRE-67513f76-23
0.308
MAR-TRE-9c797165-100
0.308
MAR-TRE-d0525fbf-68
0.308
MAR-TRE-74c6519b-1
0.307
MAR-TRE-4b834d9a-93
0.307
MAR-TRE-74c6519b-70
0.307
MAR-TRE-04c86cea-36
0.306
MAR-TRE-d0525fbf-71
0.305
MAR-TRE-3e4e6814-35
0.304
MAR-TRE-74c6519b-2
0.304
MAR-TRE-f6f5f473-45
0.304
MAR-TRE-4b834d9a-99
0.302
MAR-TRE-d0525fbf-31
0.302
MAR-TRE-b77b7921-6
0.302
MAR-TRE-f6f5f473-16
0.301
MAR-TRE-b77b7921-27
0.301
MAR-TRE-04c86cea-89
0.299
MAR-TRE-4b834d9a-36
0.298
MAR-TRE-04c86cea-55
0.298
MAR-TRE-d0525fbf-39
0.298
MAR-TRE-7f7bb9f0-17
0.298
MAR-TRE-b77b7921-54
0.298
MAR-TRE-3e4e6814-33
0.297
MAR-TRE-f6f5f473-43
0.297
MAR-TRE-9c797165-18
0.297
MAR-TRE-f6f5f473-26
0.296