Molecular Properties | |
SMILES: | O=C(NCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21)[C@@H]1COc2ccccc2O1 |
MW: | 448.15 |
Fraction sp3: | 0.21 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 87.38 |
cLogP: | 2.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-d0525fbf-66
0.681
MAR-TRE-d0525fbf-88
0.649
MAR-TRE-04c86cea-88
0.564
MAR-TRE-3e4e6814-70
0.559
MAR-TRE-3e4e6814-71
0.529
MAR-TRE-04c86cea-54
0.514
MAR-TRE-3e4e6814-94
0.495
MAR-TRE-3e4e6814-51
0.468
MAR-TRE-74c6519b-59
0.467
MAR-TRE-3e4e6814-64
0.462
MAR-TRE-f6f5f473-61
0.459
MAR-TRE-f6f5f473-93
0.450
MAR-TRE-f6f5f473-42
0.417
MAR-TRE-04c86cea-14
0.416
MAR-TRE-f6f5f473-41
0.375
MAR-TRE-04c86cea-73
0.372
MAR-TRE-b77b7921-14
0.363
MAR-TRE-7f7bb9f0-71
0.353
MAR-TRE-d0525fbf-60
0.339
MAR-TRE-04c86cea-52
0.336
MAR-TRE-d0525fbf-32
0.336
MAR-TRE-d0525fbf-17
0.333
MAR-TRE-4b834d9a-60
0.333
MAR-TRE-b77b7921-76
0.333
MAR-TRE-67513f76-15
0.331
MAR-TRE-04c86cea-63
0.328
MAR-TRE-04c86cea-74
0.325
MAR-TRE-4b834d9a-76
0.325
MAR-TRE-d0525fbf-67
0.321
MAR-TRE-b77b7921-49
0.321
MAR-TRE-74c6519b-75
0.319
MAR-TRE-f6f5f473-17
0.316
MAR-TRE-4b834d9a-35
0.316
MAR-TRE-d0525fbf-21
0.314
MAR-TRE-3e4e6814-73
0.313
MAR-TRE-7f7bb9f0-65
0.312
MAR-TRE-3e4e6814-75
0.312
MAR-TRE-04c86cea-12
0.311
MAR-TRE-04c86cea-2
0.311
MAR-TRE-d0525fbf-37
0.311
MAR-TRE-b77b7921-59
0.310
MAR-TRE-f6f5f473-66
0.310
MAR-TRE-67513f76-62
0.308
MAR-TRE-9c797165-23
0.308
MAR-TRE-9c797165-78
0.307
MAR-TRE-9c797165-100
0.306
MAR-TRE-7f7bb9f0-70
0.306
MAR-TRE-4b834d9a-93
0.306
MAR-TRE-4b834d9a-54
0.305
MAR-TRE-74c6519b-30
0.305
MAR-TRE-f6f5f473-54
0.303
MAR-TRE-f6f5f473-89
0.302
MAR-TRE-74c6519b-87
0.302
MAR-TRE-b77b7921-7
0.301
MAR-TRE-74c6519b-86
0.300
MAR-TRE-b77b7921-27
0.300
MAR-TRE-67513f76-11
0.299
MAR-TRE-d0525fbf-70
0.298
MAR-TRE-3e4e6814-20
0.298
MAR-TRE-d0525fbf-1
0.298
MAR-TRE-d0525fbf-39
0.298
MAR-TRE-4b834d9a-11
0.298
MAR-TRE-b77b7921-43
0.298
MAR-TRE-7f7bb9f0-78
0.297
MAR-TRE-4b834d9a-14
0.297
MAR-TRE-67513f76-72
0.296
MAR-TRE-d0525fbf-71
0.294
MAR-TRE-4b834d9a-18
0.292
MAR-TRE-9c797165-85
0.292
MAR-TRE-f6f5f473-40
0.292
MAR-TRE-4b834d9a-69
0.292
MAR-TRE-04c86cea-9
0.290
MAR-TRE-7f7bb9f0-22
0.289
MAR-TRE-3e4e6814-25
0.287
MAR-TRE-04c86cea-55
0.287
MAR-TRE-b77b7921-69
0.286
MAR-TRE-74c6519b-1
0.285
MAR-TRE-b77b7921-12
0.285
MAR-TRE-74c6519b-70
0.285
MAR-TRE-67513f76-23
0.284
MAR-TRE-4b834d9a-72
0.283
MAR-TRE-67513f76-18
0.283
MAR-TRE-b77b7921-37
0.282
MAR-TRE-f6f5f473-1
0.282
MAR-TRE-d0525fbf-89
0.282
MAR-TRE-3e4e6814-35
0.282
MAR-TRE-74c6519b-2
0.282
MAR-TRE-b77b7921-20
0.282
MAR-TRE-4b834d9a-55
0.281
MAR-TRE-b77b7921-6
0.280
MAR-TRE-74c6519b-21
0.280
MAR-TRE-6a44bbf2-91
0.280
MAR-TRE-d0525fbf-31
0.280
MAR-TRE-74c6519b-36
0.279
MAR-TRE-4b834d9a-99
0.278
MAR-TRE-4b834d9a-51
0.278
MAR-TRE-74c6519b-23
0.278
MAR-TRE-04c86cea-61
0.277
MAR-TRE-4b834d9a-36
0.276
MAR-TRE-4b834d9a-41
0.276