Molecular Properties | |
SMILES: | COCCn1c(=O)n([C@H]2CCCN(C(=O)NC(C)(C)C)C2)c2ncccc21 |
MW: | 375.23 |
Fraction sp3: | 0.63 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.39 |
cLogP: | 1.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9c797165-51
0.660
MAR-TRE-67513f76-28
0.566
MAR-TRE-d0525fbf-85
0.457
MAR-TRE-67513f76-56
0.417
MAR-TRE-67513f76-77
0.413
MAR-TRE-04c86cea-56
0.393
MAR-TRE-04c86cea-11
0.391
MAR-TRE-04c86cea-89
0.387
MAR-TRE-04c86cea-25
0.378
MAR-TRE-f6f5f473-43
0.377
MAR-TRE-04c86cea-36
0.374
MAR-TRE-f6f5f473-88
0.370
MAR-TRE-f6f5f473-62
0.369
MAR-TRE-f6f5f473-72
0.369
MAR-TRE-f6f5f473-16
0.367
MAR-TRE-04c86cea-20
0.365
MAR-TRE-3e4e6814-33
0.364
MAR-TRE-f6f5f473-82
0.364
MAR-TRE-04c86cea-63
0.361
MAR-TRE-9c797165-73
0.355
MAR-TRE-04c86cea-72
0.351
MAR-TRE-f6f5f473-50
0.351
MAR-TRE-3e4e6814-19
0.348
MAR-TRE-f6f5f473-26
0.348
MAR-TRE-f6f5f473-96
0.345
MAR-TRE-f6f5f473-45
0.345
MAR-TRE-7f7bb9f0-78
0.343
MAR-TRE-d0525fbf-100
0.342
MAR-TRE-74c6519b-16
0.342
MAR-TRE-04c86cea-9
0.342
MAR-TRE-9c797165-62
0.330
MAR-TRE-67513f76-91
0.327
MAR-TRE-4b834d9a-30
0.322
MAR-TRE-3e4e6814-18
0.321
MAR-TRE-9c797165-18
0.319
MAR-TRE-9c797165-61
0.318
MAR-TRE-9c797165-78
0.315
MAR-TRE-3e4e6814-20
0.306
MAR-TRE-3e4e6814-26
0.303
MAR-TRE-4b834d9a-32
0.302
MAR-TRE-7f7bb9f0-39
0.301
MAR-TRE-3159af1a-13
0.301
MAR-TRE-f6f5f473-53
0.300
MAR-TRE-04c86cea-77
0.298
MAR-TRE-3e4e6814-10
0.296
MAR-TRE-3e4e6814-75
0.296
MAR-TRE-9c797165-15
0.295
MAR-TRE-b77b7921-59
0.295
MAR-TRE-3e4e6814-25
0.293
MAR-TRE-3e4e6814-60
0.293
MAR-TRE-d0525fbf-23
0.292
MAR-TRE-67513f76-72
0.292
MAR-TRE-9c797165-25
0.289
MAR-TRE-3e4e6814-69
0.288
MAR-TRE-3e4e6814-70
0.288
MAR-TRE-4b834d9a-39
0.287
MAR-TRE-3e4e6814-71
0.284
MAR-TRE-7f7bb9f0-65
0.284
MAR-TRE-4b834d9a-84
0.284
MAR-TRE-3e4e6814-1
0.283
MAR-TRE-67513f76-62
0.282
MAR-TRE-7f7bb9f0-71
0.282
MAR-TRE-4b834d9a-8
0.282
MAR-TRE-b77b7921-54
0.280
MAR-TRE-d0525fbf-24
0.280
MAR-TRE-9c797165-40
0.279
MAR-TRE-9c797165-74
0.279
MAR-TRE-3e4e6814-94
0.279
MAR-TRE-4b834d9a-7
0.278
MAR-TRE-3159af1a-73
0.278
MAR-TRE-3e4e6814-21
0.276
MAR-TRE-b77b7921-98
0.276
MAR-TRE-3e4e6814-51
0.275
MAR-TRE-74c6519b-77
0.275
MAR-TRE-d0525fbf-28
0.274
MAR-TRE-4b834d9a-3
0.274
MAR-TRE-b77b7921-100
0.274
MAR-TRE-7f7bb9f0-87
0.274
MAR-TRE-d0525fbf-9
0.274
MAR-TRE-7f7bb9f0-29
0.273
MAR-TRE-67513f76-15
0.273
MAR-TRE-3159af1a-49
0.273
MAR-TRE-b77b7921-16
0.272
MAR-TRE-04c86cea-57
0.271
MAR-TRE-7f7bb9f0-57
0.270
MAR-TRE-b77b7921-11
0.270
MAR-TRE-4b834d9a-23
0.270
MAR-TRE-d0525fbf-66
0.269
MAR-TRE-7f7bb9f0-17
0.269
MAR-TRE-d0525fbf-71
0.268
MAR-TRE-7f7bb9f0-1
0.268
MAR-TRE-4b834d9a-2
0.268
MAR-TRE-74c6519b-71
0.268
MAR-TRE-74c6519b-75
0.268
MAR-TRE-3e4e6814-72
0.267
MAR-TRE-74c6519b-59
0.267
MAR-TRE-3e4e6814-35
0.267
MAR-TRE-d0525fbf-89
0.267
MAR-TRE-7f7bb9f0-73
0.266
MAR-TRE-67513f76-18
0.266