Molecular Properties | |
SMILES: | Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccnc2)ccc1C |
MW: | 381.11 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 88.16 |
cLogP: | 3.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2028657984 |
MolPort: | MolPort-002-295-565 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-70
0.743
MAR-TRE-2fd8122f-82
0.640
MAR-TRE-2fd8122f-24
0.494
MAR-TRE-2fd8122f-40
0.484
MAR-TRE-f6f5f473-29
0.470
KEI-TRE-d5e2018a-28
0.470
MAR-TRE-2fd8122f-65
0.459
KEI-TRE-d5e2018a-82
0.433
CHR-SOS-7098f804-12
0.421
MAR-TRE-f6f5f473-75
0.404
KEI-TRE-d5e2018a-22
0.404
MAR-TRE-2fd8122f-71
0.398
KEI-TRE-d5e2018a-90
0.397
MAR-TRE-2fd8122f-58
0.388
MAR-TRE-2fd8122f-84
0.387
MAR-TRE-4b834d9a-43
0.385
KEI-TRE-d5e2018a-58
0.385
MAR-TRE-2fd8122f-22
0.385
MAR-TRE-2fd8122f-34
0.382
KEI-TRE-d5e2018a-100
0.380
MAR-TRE-3e4e6814-45
0.374
MAR-TRE-f6f5f473-79
0.370
MAR-TRE-04c86cea-65
0.368
KEI-TRE-d5e2018a-56
0.368
MAK-UNK-129dcd6f-9
0.367
KEI-TRE-d5e2018a-91
0.366
MAR-TRE-2fd8122f-70
0.365
CHR-SOS-7098f804-18
0.364
MAR-TRE-3e4e6814-34
0.360
KEI-TRE-d5e2018a-32
0.360
MAK-UNK-129dcd6f-12
0.360
CHR-SOS-7098f804-19
0.358
KEI-TRE-d5e2018a-13
0.358
KEI-TRE-d5e2018a-71
0.358
MAR-TRE-2fd8122f-95
0.357
MAR-TRE-b77b7921-70
0.355
MAR-TRE-2fd8122f-31
0.355
MAR-TRE-2fd8122f-5
0.354
MAR-TRE-2fd8122f-76
0.352
KEI-TRE-d5e2018a-83
0.351
MAR-TRE-2fd8122f-11
0.350
MAK-UNK-c749d764-27
0.349
MAR-TRE-3e4e6814-92
0.347
CHR-SOS-7098f804-22
0.347
KEI-TRE-d5e2018a-36
0.344
MAK-UNK-129dcd6f-4
0.344
MAR-TRE-04c86cea-90
0.344
ANT-DIA-3c79be55-4
0.341
MAR-TRE-2fd8122f-41
0.340
BAR-COM-5694a99d-2
0.337
MAR-TRE-2fd8122f-85
0.337
MAR-TRE-4b834d9a-67
0.337
JIA-UNI-12b1f9ae-1
0.333
MAK-UNK-ca11b4f7-3
0.333
KEI-TRE-d5e2018a-40
0.330
SAD-SAT-689b7d5a-5
0.330
MAR-TRE-67513f76-93
0.329
JOH-IMS-62aeb97d-5
0.329
MAK-UNK-ca11b4f7-1
0.329
WAR-XCH-6eb0722e-6
0.327
MAR-TRE-4b834d9a-57
0.326
MAR-TRE-2fd8122f-15
0.326
ADA-UNI-f8e79267-1
0.326
IAN-BAS-df1706d7-1
0.326
JAG-UCB-a3ef7265-7
0.326
WIL-UNI-5578df48-21
0.325
WAR-XCH-6eb0722e-2
0.323
WAR-XCH-6eb0722e-5
0.323
BAR-COM-5694a99d-3
0.323
STE-LAU-aafa5dff-1
0.323
CHR-SOS-7098f804-11
0.321
WAR-XCH-eb7b662f-5
0.321
WAR-XCH-eb7b662f-6
0.321
MAR-TRE-2fd8122f-25
0.321
KEI-TRE-d5e2018a-98
0.320
WAR-XCH-6eb0722e-4
0.320
MAR-TRE-2fd8122f-52
0.320
MAR-TRE-67513f76-81
0.319
MAR-TRE-2fd8122f-98
0.319
MAR-TRE-7f7bb9f0-49
0.318
MAK-UNK-10dfa458-24
0.316
KEI-TRE-d5e2018a-76
0.316
AAR-POS-d2a4d1df-11
0.316
MAR-TRE-2fd8122f-21
0.316
TAM-UNI-c140e31a-10
0.315
ADA-UNI-f8e79267-2
0.315
MAR-TRE-2fd8122f-2
0.315
MAK-UNK-ca11b4f7-2
0.315
CHR-SOS-7098f804-14
0.315
MAR-TRE-92684b97-40
0.314
ALE-HEI-f28a35b5-4
0.313
KEI-TRE-d5e2018a-10
0.312
WAR-XCH-eb7b662f-3
0.312
KEI-TRE-d5e2018a-17
0.311
ADA-UNI-f8e79267-4
0.311
ASH-UNK-40b46b30-3
0.311
MAR-TRE-67513f76-13
0.311
MAR-TRE-4b834d9a-71
0.311
SAD-SAT-689b7d5a-3
0.310
MAR-TRE-4b834d9a-92
0.310