Molecular Properties | |
SMILES: | Nc1ccc(NC(=O)CCN2CCCS2(=O)=O)cn1 |
MW: | 284.09 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.39 |
cLogP: | 0.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3767436148 |
MolPort: | MolPort-045-075-518 |
aniline
MAR-TRE-67513f76-99
0.545
MAR-TRE-7f7bb9f0-14
0.493
MAR-TRE-67513f76-14
0.472
MAR-TRE-d0525fbf-82
0.468
MAR-TRE-7f7bb9f0-45
0.459
MAR-TRE-67513f76-44
0.458
MAR-TRE-7f7bb9f0-99
0.453
MAR-TRE-9c797165-70
0.443
MAR-TRE-4b834d9a-89
0.438
MAR-TRE-3e4e6814-87
0.419
MAR-TRE-74c6519b-53
0.416
MAR-TRE-3e4e6814-39
0.408
MAR-TRE-b77b7921-63
0.405
MAR-TRE-74c6519b-46
0.397
MAR-TRE-67513f76-3
0.397
MAR-TRE-04c86cea-38
0.388
MAR-TRE-7f7bb9f0-20
0.387
MAR-TRE-d0525fbf-30
0.384
MAR-TRE-3e4e6814-96
0.375
MAR-TRE-67513f76-35
0.372
MAR-TRE-04c86cea-62
0.364
MAR-TRE-9c797165-84
0.364
MAR-TRE-3e4e6814-58
0.362
MAR-TRE-67513f76-75
0.361
MAR-TRE-9c797165-77
0.360
MAR-TRE-9c797165-4
0.354
MAR-TRE-f6f5f473-90
0.349
MAR-TRE-74c6519b-12
0.348
MAR-TRE-7f7bb9f0-86
0.346
MAR-TRE-f6f5f473-28
0.346
MAR-TRE-7f7bb9f0-67
0.345
MAR-TRE-9c797165-33
0.345
MAR-TRE-74c6519b-50
0.341
MAR-TRE-74c6519b-48
0.341
MAR-TRE-04c86cea-44
0.341
MAR-TRE-74c6519b-24
0.341
MAR-TRE-9c797165-44
0.338
MAR-TRE-f6f5f473-97
0.338
MAR-TRE-f6f5f473-8
0.333
MAR-TRE-67513f76-24
0.333
MAR-TRE-f6f5f473-56
0.333
MAR-TRE-7f7bb9f0-63
0.333
MAR-TRE-f6f5f473-73
0.329
MAR-TRE-67513f76-47
0.329
MAR-TRE-f6f5f473-77
0.326
MAR-TRE-f6f5f473-91
0.326
MAR-TRE-3e4e6814-23
0.322
MAR-TRE-f6f5f473-69
0.322
MAR-TRE-7f7bb9f0-11
0.321
MAR-TRE-74c6519b-29
0.315
MAR-TRE-f6f5f473-74
0.314
MAR-TRE-74c6519b-52
0.313
MAR-TRE-7f7bb9f0-47
0.313
MAR-TRE-4b834d9a-65
0.311
MAR-TRE-04c86cea-78
0.310
MAR-TRE-67513f76-48
0.307
MAR-TRE-b77b7921-72
0.304
MAR-TRE-f6f5f473-9
0.303
MAR-TRE-f6f5f473-39
0.302
MAR-TRE-67513f76-60
0.302
MAR-TRE-b77b7921-9
0.298
MAR-TRE-7f7bb9f0-21
0.295
MAR-TRE-799db12b-40
0.295
MAR-TRE-67513f76-31
0.292
MAR-TRE-d0525fbf-50
0.289
MAR-TRE-2fd8122f-72
0.287
ALB-THE-e2bfce8e-1
0.287
MAR-TRE-7f7bb9f0-13
0.284
MAR-TRE-4b834d9a-58
0.280
MAR-TRE-3e4e6814-61
0.278
MAR-TRE-74c6519b-58
0.276
MAR-TRE-4b834d9a-78
0.274
MAR-TRE-74c6519b-69
0.274
SWA-SYN-6423ea73-9
0.272
SWA-SYN-d2e6fa14-10
0.272
IND-SYN-6c8299e8-8
0.272
MAR-TRE-3e4e6814-22
0.271
MAR-TRE-d0525fbf-99
0.270
MAR-TRE-f6f5f473-14
0.269
MAR-TRE-67513f76-82
0.267
MAR-TRE-74c6519b-90
0.266
MAR-TRE-04c86cea-34
0.263
MAR-TRE-67513f76-90
0.262
MAR-TRE-3e4e6814-9
0.262
MAR-TRE-3e4e6814-31
0.261
MAR-TRE-3e4e6814-16
0.260
MAR-TRE-9c797165-3
0.258
MAR-TRE-9c797165-12
0.258
ALE-HEI-f28a35b5-14
0.257
MAR-TRE-4b834d9a-64
0.256
NAU-LAT-64f4b287-10
0.256
MAR-TRE-74c6519b-42
0.256
MAR-TRE-f6f5f473-67
0.255
MAR-TRE-7f7bb9f0-30
0.255
MAR-TRE-b77b7921-15
0.255
MAR-TRE-04c86cea-84
0.253
KEI-TRE-d5e2018a-68
0.253
MAR-TRE-f6f5f473-76
0.250
MAR-TRE-9c797165-87
0.250
MAR-TRE-67513f76-74
0.250