Molecular Properties | |
SMILES: | Nc1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cn1 |
MW: | 317.09 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 101.21 |
cLogP: | 1.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7423126877 |
MolPort: | MolPort-045-568-629 |
aniline
MAR-TRE-9c797165-33
0.524
MAR-TRE-7f7bb9f0-63
0.512
MAR-TRE-67513f76-99
0.407
MAR-TRE-9c797165-2
0.372
MAR-TRE-7f7bb9f0-20
0.365
MAR-TRE-7f7bb9f0-45
0.364
MAR-TRE-67513f76-22
0.362
MAR-TRE-74c6519b-53
0.360
MAR-TRE-04c86cea-38
0.354
MAR-TRE-b77b7921-63
0.352
MAR-TRE-67513f76-69
0.351
MAR-TRE-f6f5f473-8
0.347
MAR-TRE-9c797165-70
0.345
MAR-TRE-67513f76-3
0.344
MAR-TRE-67513f76-31
0.337
MAR-TRE-2fd8122f-99
0.333
MAR-TRE-67513f76-60
0.333
MAR-TRE-7f7bb9f0-14
0.333
MAR-TRE-74c6519b-29
0.330
MAR-TRE-7f7bb9f0-99
0.330
MAR-TRE-9c797165-84
0.330
MAR-TRE-7f7bb9f0-86
0.330
MAR-TRE-67513f76-44
0.330
MAR-TRE-4b834d9a-89
0.330
MAR-TRE-74c6519b-24
0.327
MAR-TRE-04c86cea-44
0.327
MAR-TRE-3e4e6814-96
0.326
MAR-TRE-67513f76-14
0.326
MAR-TRE-9c797165-77
0.326
MAR-TRE-2fd8122f-39
0.323
MAR-TRE-04c86cea-62
0.320
MAR-TRE-d0525fbf-82
0.316
MAR-TRE-f6f5f473-73
0.316
MAR-TRE-67513f76-47
0.315
MAR-TRE-3e4e6814-87
0.315
MAR-TRE-4b834d9a-65
0.313
MAR-TRE-67513f76-75
0.310
MAR-TRE-f6f5f473-69
0.309
MAR-TRE-3e4e6814-39
0.308
MAR-TRE-9c797165-4
0.308
MAR-TRE-74c6519b-12
0.307
MAR-TRE-9c797165-44
0.306
MAR-TRE-67513f76-4
0.303
MAR-TRE-7f7bb9f0-67
0.302
MAR-TRE-3e4e6814-58
0.301
MAR-TRE-74c6519b-46
0.301
MAR-TRE-74c6519b-52
0.301
MAR-TRE-f6f5f473-28
0.300
MAR-TRE-f6f5f473-91
0.299
MAR-TRE-d0525fbf-30
0.297
MAR-TRE-7f7bb9f0-11
0.295
MAR-TRE-b77b7921-72
0.294
MAR-TRE-74c6519b-48
0.287
MAR-TRE-7f7bb9f0-21
0.286
MAR-TRE-74c6519b-50
0.286
MAR-TRE-04c86cea-78
0.286
MAR-TRE-f6f5f473-77
0.286
MAR-TRE-3e4e6814-23
0.283
LON-WEI-8f408cad-1
0.281
MAK-UNK-7a704a63-10
0.281
AAR-POS-0daf6b7e-11
0.281
MAK-UNK-7a704a63-9
0.281
MAR-TRE-d0525fbf-50
0.280
MAR-TRE-f6f5f473-90
0.280
MAR-TRE-f6f5f473-97
0.280
MAK-UNK-c8c8f7e2-10
0.279
MAK-UNK-7a704a63-5
0.279
MAR-TRE-4b834d9a-59
0.277
MAR-TRE-f6f5f473-56
0.277
MAK-UNK-7a704a63-16
0.276
MAK-UNK-c8c8f7e2-39
0.276
MAK-UNK-c8c8f7e2-41
0.276
MAK-UNK-7a704a63-18
0.276
MAR-TRE-f6f5f473-74
0.276
JAG-UCB-a3ef7265-11
0.275
MAR-TRE-4b834d9a-58
0.273
MAK-UNK-7a704a63-7
0.273
MAK-UNK-c8c8f7e2-12
0.273
MAR-TRE-2fd8122f-23
0.272
MAK-UNK-c8c8f7e2-18
0.272
MAR-TRE-f6f5f473-9
0.267
MAR-TRE-2fd8122f-53
0.267
EDG-MED-0da5ad92-13
0.267
MAK-UNK-c8c8f7e2-40
0.264
MAK-UNK-7a704a63-17
0.264
MAK-UNK-7a704a63-8
0.264
MAK-UNK-c8c8f7e2-15
0.264
MAR-TRE-7f7bb9f0-13
0.264
MAR-TRE-2fd8122f-26
0.264
MAR-TRE-2fd8122f-66
0.264
MAR-TRE-f6f5f473-14
0.263
MAK-UNK-1e8f9e3c-6
0.262
MAK-UNK-c8c8f7e2-11
0.261
MAK-UNK-7a704a63-4
0.261
MAK-UNK-7a704a63-6
0.261
MAK-UNK-c8c8f7e2-9
0.261
MAK-UNK-e4a48a85-17
0.261
MAR-TRE-7f7bb9f0-47
0.260
MAR-TRE-04c86cea-34
0.257
MAK-UNK-7a704a63-23
0.256