Molecular Properties | |
SMILES: | COc1ccccc1CNC(=O)CN1C(=O)CSc2ncccc21 |
MW: | 343.1 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 71.53 |
cLogP: | 1.85 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3960493999 |
MolPort: | MolPort-007-676-924 |
MAR-TRE-d0525fbf-69
0.747
MAR-TRE-4b834d9a-53
0.693
MAR-TRE-4b834d9a-94
0.611
MAR-TRE-4b834d9a-68
0.585
MAR-TRE-d0525fbf-52
0.570
MAR-TRE-7f7bb9f0-88
0.565
MAR-TRE-67513f76-29
0.538
MAR-TRE-67513f76-19
0.516
MAR-TRE-74c6519b-93
0.510
MAR-TRE-9c797165-29
0.500
MAR-TRE-4b834d9a-8
0.484
MAR-TRE-3e4e6814-97
0.480
MAR-TRE-d0525fbf-43
0.479
MAR-TRE-04c86cea-70
0.470
MAR-TRE-04c86cea-25
0.456
MAR-TRE-d0525fbf-38
0.451
MAR-TRE-3e4e6814-84
0.443
MAR-TRE-04c86cea-12
0.442
MAR-TRE-74c6519b-98
0.430
MAR-TRE-b77b7921-19
0.426
MAR-TRE-d0525fbf-80
0.411
MAR-TRE-4b834d9a-66
0.404
MAR-TRE-9c797165-50
0.394
MAR-TRE-9c797165-64
0.374
MAR-TRE-3159af1a-52
0.374
MAR-TRE-74c6519b-77
0.364
MAR-TRE-d0525fbf-28
0.356
MAR-TRE-d0525fbf-3
0.355
MAR-TRE-d0525fbf-71
0.354
MAR-TRE-d0525fbf-23
0.349
MAR-TRE-d0525fbf-12
0.345
MAR-TRE-7f7bb9f0-73
0.339
MAR-TRE-9c797165-25
0.333
MAR-TRE-4b834d9a-54
0.333
MAR-TRE-4b834d9a-99
0.330
MAR-TRE-74c6519b-86
0.327
MAR-TRE-f6f5f473-12
0.327
MAR-TRE-04c86cea-45
0.327
MAR-TRE-4b834d9a-33
0.327
MAR-TRE-74c6519b-45
0.321
MAR-TRE-f6f5f473-68
0.321
MAR-TRE-4b834d9a-55
0.320
MAR-TRE-4b834d9a-95
0.320
MAR-TRE-7f7bb9f0-1
0.319
MAR-TRE-4b834d9a-76
0.318
MAR-TRE-04c86cea-69
0.318
MAR-TRE-74c6519b-78
0.317
MAR-TRE-4b834d9a-85
0.315
MAR-TRE-d0525fbf-70
0.313
MAR-TRE-d0525fbf-2
0.310
MAR-TRE-f6f5f473-26
0.310
MAR-TRE-d0525fbf-44
0.308
MAR-TRE-04c86cea-74
0.307
MAR-TRE-3e4e6814-17
0.306
MAR-TRE-b77b7921-48
0.304
MAR-TRE-4b834d9a-15
0.304
MAR-TRE-4b834d9a-36
0.301
MAR-TRE-f6f5f473-50
0.301
MAR-TRE-74c6519b-10
0.300
MAR-TRE-4b834d9a-23
0.300
MAR-TRE-67513f76-10
0.299
MAR-TRE-4b834d9a-9
0.296
MAR-TRE-04c86cea-58
0.296
MAR-TRE-d0525fbf-79
0.295
MAR-TRE-9c797165-54
0.294
MAR-TRE-3e4e6814-4
0.293
MAR-TRE-d0525fbf-37
0.292
MAR-TRE-7f7bb9f0-22
0.292
MAR-TRE-b77b7921-27
0.292
MAR-TRE-b77b7921-29
0.292
MAR-TRE-d0525fbf-39
0.289
MAR-TRE-74c6519b-9
0.289
MAR-TRE-b77b7921-43
0.289
MAR-TRE-2fd8122f-43
0.288
MAR-TRE-d0525fbf-68
0.288
MAR-TRE-3e4e6814-19
0.287
MAR-TRE-7f7bb9f0-70
0.287
MAR-TRE-b77b7921-20
0.284
MAR-TRE-67513f76-50
0.284
MAR-TRE-d0525fbf-21
0.283
MAR-TRE-3e4e6814-21
0.283
MAR-TRE-4b834d9a-39
0.283
MAR-TRE-d0525fbf-6
0.282
MAR-TRE-74c6519b-16
0.282
MAR-TRE-3e4e6814-2
0.282
MAR-TRE-9c797165-53
0.282
MAR-TRE-4b834d9a-3
0.282
MAR-TRE-7f7bb9f0-51
0.282
MAR-TRE-d0525fbf-9
0.281
MAR-TRE-04c86cea-56
0.281
MAR-TRE-d0525fbf-96
0.280
MAR-TRE-3e4e6814-18
0.280
MAR-TRE-d0525fbf-8
0.280
MAR-TRE-74c6519b-72
0.280
MAR-TRE-04c86cea-33
0.280
MAR-TRE-9c797165-23
0.277
MAR-TRE-74c6519b-92
0.277
MAR-TRE-7f7bb9f0-85
0.276
MAR-TRE-7f7bb9f0-17
0.276
MAR-TRE-67513f76-5
0.276