Molecular Properties | |
SMILES: | O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)[C@@H]1CCCO1 |
MW: | 384.16 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 1.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-3e4e6814-70
0.821
MAR-TRE-d0525fbf-88
0.733
MAR-TRE-3e4e6814-94
0.707
MAR-TRE-74c6519b-11
0.681
MAR-TRE-3e4e6814-71
0.596
MAR-TRE-04c86cea-88
0.583
MAR-TRE-04c86cea-54
0.560
MAR-TRE-3e4e6814-51
0.510
MAR-TRE-74c6519b-59
0.495
MAR-TRE-3e4e6814-64
0.490
MAR-TRE-f6f5f473-93
0.476
MAR-TRE-f6f5f473-61
0.471
MAR-TRE-f6f5f473-42
0.454
MAR-TRE-04c86cea-14
0.439
MAR-TRE-d0525fbf-32
0.427
MAR-TRE-67513f76-62
0.398
MAR-TRE-04c86cea-63
0.396
MAR-TRE-f6f5f473-41
0.395
MAR-TRE-04c86cea-73
0.393
MAR-TRE-3159af1a-97
0.390
MAR-TRE-7f7bb9f0-71
0.385
MAR-TRE-d0525fbf-60
0.369
MAR-TRE-3e4e6814-75
0.369
MAR-TRE-4b834d9a-60
0.365
MAR-TRE-b77b7921-59
0.364
MAR-TRE-67513f76-15
0.360
MAR-TRE-04c86cea-52
0.355
MAR-TRE-d0525fbf-17
0.351
MAR-TRE-b77b7921-7
0.351
MAR-TRE-74c6519b-75
0.349
MAR-TRE-b77b7921-14
0.345
MAR-TRE-4b834d9a-35
0.345
MAR-TRE-f6f5f473-17
0.345
MAR-TRE-67513f76-72
0.345
MAR-TRE-7f7bb9f0-65
0.343
MAR-TRE-4b834d9a-76
0.342
MAR-TRE-f6f5f473-54
0.342
MAR-TRE-b77b7921-49
0.340
MAR-TRE-b77b7921-76
0.340
MAR-TRE-d0525fbf-67
0.340
MAR-TRE-d0525fbf-37
0.339
MAR-TRE-04c86cea-9
0.339
MAR-TRE-9c797165-78
0.336
MAR-TRE-9c797165-23
0.336
MAR-TRE-7f7bb9f0-70
0.333
MAR-TRE-3e4e6814-19
0.333
MAR-TRE-74c6519b-30
0.333
MAR-TRE-04c86cea-74
0.330
MAR-TRE-4b834d9a-18
0.330
MAR-TRE-d0525fbf-21
0.330
MAR-TRE-f6f5f473-89
0.330
MAR-TRE-3e4e6814-73
0.330
MAR-TRE-74c6519b-87
0.328
MAR-TRE-74c6519b-16
0.328
MAR-TRE-7f7bb9f0-22
0.327
MAR-TRE-04c86cea-2
0.327
MAR-TRE-67513f76-11
0.327
MAR-TRE-3e4e6814-20
0.327
MAR-TRE-f6f5f473-66
0.327
MAR-TRE-7f7bb9f0-78
0.327
MAR-TRE-d0525fbf-70
0.325
MAR-TRE-3e4e6814-60
0.325
MAR-TRE-04c86cea-72
0.325
MAR-TRE-d0525fbf-1
0.325
MAR-TRE-4b834d9a-11
0.325
MAR-TRE-4b834d9a-14
0.324
MAR-TRE-4b834d9a-54
0.321
MAR-TRE-04c86cea-36
0.321
MAR-TRE-f6f5f473-45
0.319
MAR-TRE-9c797165-85
0.319
MAR-TRE-4b834d9a-69
0.319
MAR-TRE-04c86cea-12
0.316
MAR-TRE-4b834d9a-28
0.316
MAR-TRE-74c6519b-86
0.316
MAR-TRE-f6f5f473-16
0.316
MAR-TRE-f6f5f473-50
0.313
MAR-TRE-b77b7921-43
0.313
MAR-TRE-3e4e6814-25
0.313
MAR-TRE-3e4e6814-33
0.312
MAR-TRE-f6f5f473-43
0.312
MAR-TRE-67513f76-23
0.312
MAR-TRE-9c797165-100
0.311
MAR-TRE-4b834d9a-93
0.310
MAR-TRE-74c6519b-70
0.310
MAR-TRE-f6f5f473-26
0.310
MAR-TRE-f6f5f473-53
0.309
MAR-TRE-d0525fbf-71
0.308
MAR-TRE-7f7bb9f0-34
0.308
MAR-TRE-74c6519b-2
0.308
MAR-TRE-f6f5f473-62
0.308
MAR-TRE-f6f5f473-96
0.308
MAR-TRE-f6f5f473-88
0.307
MAR-TRE-7f7bb9f0-73
0.306
MAR-TRE-b77b7921-6
0.305
MAR-TRE-d0525fbf-31
0.305
MAR-TRE-b77b7921-27
0.304
MAR-TRE-04c86cea-56
0.304
MAR-TRE-04c86cea-89
0.303
MAR-TRE-fd17a9b8-29
0.302
MAR-TRE-4b834d9a-36
0.302