Molecular Properties | |
SMILES: | Cc1ccc(CNC(=O)CCCN2C(=O)CSc3ncccc32)cc1 |
MW: | 355.14 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 2.93 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6737469854 |
MolPort: | MolPort-007-676-992 |
Long aliphatic chain
MAR-TRE-3e4e6814-84
0.782
MAR-TRE-4b834d9a-66
0.686
MAR-TRE-d0525fbf-80
0.667
MAR-TRE-3e4e6814-97
0.655
MAR-TRE-9c797165-64
0.587
MAR-TRE-9c797165-50
0.582
MAR-TRE-4b834d9a-94
0.469
MAR-TRE-d0525fbf-52
0.450
MAR-TRE-67513f76-19
0.443
MAR-TRE-4b834d9a-70
0.430
MAR-TRE-d0525fbf-69
0.426
MAR-TRE-4b834d9a-68
0.423
MAR-TRE-9c797165-29
0.416
MAR-TRE-74c6519b-93
0.412
MAR-TRE-4b834d9a-53
0.410
MAR-TRE-67513f76-29
0.404
MAR-TRE-7f7bb9f0-88
0.388
MAR-TRE-f6f5f473-66
0.356
MAR-TRE-74c6519b-73
0.354
MAR-TRE-f6f5f473-43
0.340
MAR-TRE-74c6519b-30
0.336
MAR-TRE-f6f5f473-34
0.333
MAR-TRE-f6f5f473-88
0.333
MAR-TRE-04c86cea-66
0.330
MAR-TRE-74c6519b-5
0.330
MAR-TRE-f6f5f473-21
0.330
MAR-TRE-74c6519b-6
0.330
MAR-TRE-3e4e6814-11
0.327
MAR-TRE-04c86cea-3
0.324
MAR-TRE-b77b7921-45
0.321
MAR-TRE-3e4e6814-21
0.321
MAR-TRE-04c86cea-73
0.321
MAR-TRE-b77b7921-99
0.315
MAR-TRE-9c797165-53
0.308
MAR-TRE-f6f5f473-27
0.306
MAR-TRE-f6f5f473-17
0.300
MAR-TRE-4b834d9a-5
0.297
MAR-TRE-4b834d9a-18
0.297
MAR-TRE-9c797165-54
0.296
MAK-UNK-af83ef51-31
0.292
MAR-TRE-9c797165-6
0.290
MAR-TRE-67513f76-10
0.290
MAR-TRE-f6f5f473-55
0.284
MAR-TRE-7f7bb9f0-51
0.284
MAR-TRE-67513f76-34
0.283
MAR-TRE-3e4e6814-14
0.282
MAR-TRE-74c6519b-39
0.282
MAT-POS-ea426761-27
0.279
MAR-TRE-67513f76-5
0.279
MAR-TRE-b77b7921-54
0.279
MAR-TRE-7f7bb9f0-60
0.278
MAR-TRE-74c6519b-40
0.278
MAR-TRE-04c86cea-74
0.276
MAR-TRE-67513f76-50
0.275
MAR-TRE-3e4e6814-17
0.274
MAR-TRE-4b834d9a-39
0.274
MAR-TRE-b77b7921-47
0.273
MAR-TRE-9c797165-72
0.271
MAR-TRE-d0525fbf-96
0.271
MAR-TRE-4b834d9a-85
0.270
MAR-TRE-b77b7921-89
0.266
MAR-TRE-fd17a9b8-69
0.266
MAR-TRE-74c6519b-75
0.266
MAR-TRE-f6f5f473-62
0.265
MAR-TRE-d0525fbf-22
0.263
MAR-TRE-b77b7921-48
0.263
MAR-TRE-04c86cea-12
0.263
MAR-TRE-7f7bb9f0-36
0.262
MAR-TRE-3e4e6814-71
0.261
MAR-TRE-b77b7921-3
0.261
MAR-TRE-04c86cea-56
0.261
MAR-TRE-04c86cea-33
0.261
AAR-UNI-c25c2f1e-63
0.260
MAR-TRE-04c86cea-80
0.259
MAR-TRE-9c797165-65
0.259
MAR-TRE-d0525fbf-39
0.259
MAR-TRE-4b834d9a-22
0.259
MAR-TRE-4b834d9a-60
0.257
MAR-TRE-b77b7921-11
0.257
MAR-TRE-b77b7921-4
0.257
MAR-TRE-4b834d9a-14
0.257
MAR-TRE-3e4e6814-86
0.257
MAR-TRE-f6f5f473-93
0.256
MAR-TRE-f6f5f473-22
0.256
MAR-TRE-7f7bb9f0-80
0.255
MAR-TRE-4b834d9a-6
0.254
MAR-TRE-04c86cea-63
0.254
MAR-TRE-74c6519b-59
0.254
MAR-TRE-04c86cea-36
0.254
MAR-TRE-3e4e6814-70
0.254
MAR-TRE-f6f5f473-61
0.254
MAR-TRE-d0525fbf-36
0.254
AAR-UNI-c25c2f1e-54
0.252
MAR-TRE-3159af1a-14
0.252
MAR-TRE-f6f5f473-54
0.252
MAR-TRE-f6f5f473-40
0.252
MAR-TRE-b77b7921-5
0.252
MAR-TRE-d0525fbf-65
0.252
MAR-TRE-b77b7921-7
0.252
AAR-UNI-c25c2f1e-70
0.250