Molecular Properties | |
SMILES: | NS(=O)(=O)c1cc2c(cc1Cl)NCN(CCC(=O)Nc1cccnc1)S2(=O)=O |
MW: | 445.91 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 151.56 |
cLogP: | 0.7849 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
MAR-TRE-74c6519b-58
0.406
CHA-MCP-85291e1d-4
0.385
HAR-NEW-e34cb1ae-7
0.380
MAR-TRE-2fd8122f-37
0.371
MAR-TRE-74c6519b-42
0.370
ALE-HEI-f28a35b5-14
0.360
MAR-TRE-2fd8122f-72
0.360
CHR-SOS-70e4c98a-7
0.359
MAR-TRE-3e4e6814-100
0.359
MAR-TRE-7f7bb9f0-74
0.355
MAR-TRE-04c86cea-97
0.354
CHA-MCP-85291e1d-2
0.354
CHR-SOS-70e4c98a-9
0.352
MAR-TRE-fffca54f-38
0.347
MAR-TRE-2fd8122f-78
0.347
CHR-SOS-70e4c98a-4
0.346
TAM-UNI-c140e31a-12
0.346
TAM-UNI-c140e31a-14
0.343
MAR-TRE-74c6519b-81
0.340
KEI-TRE-d5e2018a-68
0.340
TAM-UNI-c140e31a-13
0.340
CHR-SOS-70e4c98a-12
0.339
MAK-UNK-ca11b4f7-1
0.337
MAK-UNK-a7b37c5e-1
0.337
MAR-TRE-7f7bb9f0-56
0.337
CHA-MCP-85291e1d-5
0.337
MAR-TRE-3e4e6814-61
0.337
CHR-SOS-e960e883-3
0.337
MAR-TRE-d0525fbf-33
0.333
TAM-UNI-c140e31a-7
0.333
KEI-TRE-d5e2018a-89
0.333
DAR-DIA-842b4336-11
0.333
CHR-SOS-70e4c98a-11
0.333
MAR-TRE-7f7bb9f0-15
0.333
DAR-DIA-842b4336-13
0.333
MAR-TRE-9c797165-48
0.333
EDG-MED-0da5ad92-2
0.333
MAR-TRE-2fd8122f-83
0.333
MAR-TRE-9c797165-87
0.333
MAR-TRE-b77b7921-39
0.330
TAM-UNI-c140e31a-6
0.330
CHR-SOS-e960e883-2
0.330
MAR-TRE-3e4e6814-67
0.330
MAR-TRE-67513f76-81
0.329
CHR-SOS-7098f804-22
0.327
KEI-TRE-d5e2018a-92
0.327
MAR-TRE-9c797165-57
0.327
MAR-TRE-7f7bb9f0-81
0.327
MAR-TRE-b77b7921-74
0.327
MAR-TRE-3e4e6814-50
0.327
CHR-SOS-7098f804-12
0.326
MAR-TRE-04c86cea-53
0.324
TAM-UNI-c140e31a-1
0.324
MAR-TRE-7f7bb9f0-30
0.324
CHR-SOS-e960e883-1
0.324
CHR-SOS-7098f804-19
0.324
MAR-TRE-9c797165-38
0.324
MAR-TRE-9c797165-52
0.323
MAR-TRE-67513f76-93
0.323
DAR-DIA-23aa0b97-16
0.323
SAD-SAT-24589cd1-4
0.322
JOH-IMS-62aeb97d-5
0.321
MAR-TRE-2fd8122f-93
0.321
KEI-TRE-d5e2018a-10
0.321
MAR-TRE-7f7bb9f0-82
0.321
NAU-LAT-64f4b287-10
0.320
MAK-UNK-a7b37c5e-4
0.319
MAR-TRE-2fd8122f-20
0.318
WIL-UNI-1faa9b10-8
0.317
CHR-SOS-7098f804-15
0.317
MAR-TRE-67513f76-92
0.317
MAR-TRE-b77b7921-78
0.315
CHR-SOS-70e4c98a-2
0.315
MAR-TRE-2fd8122f-17
0.315
MAR-TRE-b77b7921-66
0.314
MAR-TRE-7f7bb9f0-90
0.313
MAR-TRE-d0525fbf-84
0.312
MAK-UNK-c749d764-27
0.312
CHR-SOS-7098f804-17
0.312
MAR-TRE-7f7bb9f0-49
0.312
MAR-TRE-9c797165-95
0.312
MAR-TRE-7f7bb9f0-38
0.312
MAR-TRE-fd17a9b8-76
0.311
KEI-TRE-d5e2018a-96
0.311
MAR-TRE-3e4e6814-65
0.311
MAR-TRE-04c86cea-93
0.311
KEI-TRE-d5e2018a-22
0.311
MAR-TRE-2fd8122f-2
0.311
MAR-TRE-7f7bb9f0-97
0.311
MAR-TRE-04c86cea-5
0.310
MAR-TRE-67513f76-87
0.310
MAR-TRE-9c797165-31
0.310
MAR-TRE-fd17a9b8-39
0.309
KEI-TRE-d5e2018a-6
0.309
MAR-TRE-2fd8122f-9
0.309
MAR-TRE-7f7bb9f0-84
0.309
KEI-TRE-d5e2018a-56
0.309
MAR-TRE-2fd8122f-5
0.309
MAR-TRE-4b834d9a-82
0.309
PAU-UNI-b33c5197-1
0.309