Molecular Properties | |
SMILES: | Nc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cn1 |
MW: | 346.11 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.39 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
Hetero_hetero
MAR-TRE-4b834d9a-65
0.649
MAR-TRE-9c797165-84
0.500
MAR-TRE-74c6519b-24
0.494
MAR-TRE-3e4e6814-96
0.487
MAR-TRE-d0525fbf-14
0.471
KEI-TRE-d5e2018a-79
0.471
MAR-TRE-f6f5f473-74
0.419
MAR-TRE-9c797165-4
0.415
MAR-TRE-3e4e6814-58
0.405
MAR-TRE-d0525fbf-50
0.396
MAR-TRE-67513f76-75
0.390
MAR-TRE-9c797165-44
0.385
MAR-TRE-74c6519b-50
0.382
MAR-TRE-04c86cea-46
0.382
MAR-TRE-f6f5f473-8
0.374
MAR-TRE-7f7bb9f0-86
0.373
MAR-TRE-f6f5f473-28
0.373
MAR-TRE-9c797165-77
0.370
MAR-TRE-74c6519b-29
0.370
MAR-TRE-67513f76-31
0.363
MAR-TRE-67513f76-14
0.353
MAR-TRE-f6f5f473-9
0.344
MAR-TRE-f6f5f473-14
0.343
MAR-TRE-7f7bb9f0-67
0.341
MAR-TRE-f6f5f473-77
0.337
MAR-TRE-f6f5f473-97
0.333
MAR-TRE-74c6519b-52
0.326
MAR-TRE-7f7bb9f0-21
0.323
MAR-TRE-9c797165-2
0.322
RED-RED-10c9212c-48
0.317
MAR-TRE-b77b7921-72
0.316
MAR-TRE-f6f5f473-90
0.316
MAR-TRE-7f7bb9f0-14
0.315
GIA-UNK-595fac82-4
0.313
MAR-TRE-67513f76-3
0.311
MAR-TRE-7f7bb9f0-13
0.310
MAR-TRE-9c797165-70
0.310
MAR-TRE-74c6519b-48
0.309
MAR-TRE-04c86cea-44
0.309
MAR-TRE-67513f76-99
0.306
MAR-TRE-7f7bb9f0-11
0.304
MAR-TRE-04c86cea-17
0.302
MAR-TRE-2fd8122f-13
0.301
MAR-TRE-7f7bb9f0-45
0.300
MAR-TRE-04c86cea-35
0.299
MAR-TRE-7f7bb9f0-20
0.299
GIA-UNK-5ec6c2b8-4
0.299
MAR-TRE-d0525fbf-82
0.298
MAR-TRE-2fd8122f-16
0.297
MAR-TRE-74c6519b-53
0.297
MAR-TRE-4b834d9a-42
0.296
MAR-TRE-04c86cea-38
0.296
MAR-TRE-2fd8122f-10
0.296
MAR-TRE-04c86cea-78
0.295
DAN-MCD-68a9aade-1
0.293
DAN-MCD-a37c31cb-1
0.293
DAN-MCD-e5161b06-1
0.293
MAR-TRE-b77b7921-63
0.290
MAR-TRE-04c86cea-62
0.290
MAR-TRE-67513f76-96
0.287
MAR-TRE-f6f5f473-56
0.286
MAR-TRE-f6f5f473-23
0.286
MAR-TRE-04c86cea-48
0.284
MAR-TRE-67513f76-35
0.283
MAR-TRE-2fd8122f-6
0.283
MAR-TRE-7f7bb9f0-47
0.283
MAR-TRE-f6f5f473-91
0.281
MAR-TRE-4b834d9a-89
0.281
MAR-TRE-f6f5f473-81
0.281
MAR-TRE-67513f76-47
0.281
PEI-IMP-3d837503-1
0.281
MAR-TRE-4b834d9a-58
0.280
MAR-TRE-04c86cea-19
0.280
MAR-TRE-04c86cea-79
0.278
MAR-TRE-f6f5f473-69
0.278
PEI-IMP-e4a008a2-1
0.276
MAR-TRE-d0525fbf-90
0.275
MAR-TRE-3e4e6814-39
0.275
KEI-TRE-d5e2018a-38
0.275
MAR-TRE-fd17a9b8-56
0.275
MAR-TRE-a9136c7b-64
0.274
GIA-UNK-eaadd1d4-3
0.273
MAR-TRE-f6f5f473-73
0.271
PEI-IMP-3d837503-4
0.268
MAR-TRE-67513f76-44
0.267
MAR-TRE-3e4e6814-87
0.267
MAR-TRE-04c86cea-85
0.267
DAN-MCD-0fb4364c-1
0.267
MAR-TRE-f6f5f473-80
0.266
JAG-SYN-9c2cd0bd-7
0.264
MAR-TRE-d0525fbf-54
0.264
DRA-CSI-3ab97369-1
0.263
DAN-MCD-c163c0bb-1
0.262
MAR-TRE-9c797165-86
0.261
DRA-CSI-3ab97369-7
0.261
MAR-TRE-7f7bb9f0-63
0.260
MAR-TRE-f6f5f473-39
0.260
MAR-TRE-f6f5f473-87
0.260
SAD-SAT-135344c3-5
0.260
MAR-TRE-9c797165-33
0.258