Molecular Properties | |
SMILES: | COc1cccc(NC(=O)Cc2cccc(CS(N)(=O)=O)c2)c1 |
MW: | 334.397 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 98.49 |
cLogP: | 1.6649 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHA-MCP-85291e1d-3
0.603
CHA-MCP-85291e1d-5
0.586
MAR-TRE-6a44bbf2-76
0.427
MAR-TRE-f5c2d31c-97
0.418
MAR-TRE-fd17a9b8-63
0.407
RAL-MED-2de63afb-6
0.378
EDJ-MED-e58735b6-1
0.370
MAR-TRE-0fda4e82-59
0.367
MAR-TRE-f5c2d31c-15
0.367
RAL-MED-2de63afb-1
0.365
ANN-UNI-26382800-6
0.364
SIM-SYN-a98e6a07-3
0.362
CHA-MCP-85291e1d-2
0.358
ANT-OPE-6e66bf84-2
0.356
MAR-TRE-e86a56b5-43
0.354
BAR-COM-4e090d3a-39
0.349
MAR-TRE-b77b7921-60
0.343
CHA-MCP-85291e1d-1
0.341
MAR-TRE-b77b7921-65
0.337
ANT-OPE-6e66bf84-1
0.333
RAL-THA-2d450e86-11
0.330
MAR-TRE-4f781e27-37
0.329
BEN-DND-1e24cf73-7
0.326
RAL-MED-2de63afb-11
0.325
MAR-TRE-74c6519b-87
0.324
EDJ-MED-e58735b6-2
0.317
EDG-MED-0da5ad92-2
0.316
BAR-COM-4e090d3a-15
0.316
MAR-TRE-74c6519b-88
0.314
BEN-DND-1e24cf73-6
0.312
EDJ-MED-97c1bf5c-2
0.312
EDJ-MED-e58735b6-3
0.310
EDG-MED-0da5ad92-13
0.309
EDJ-MED-c8e7a002-3
0.308
BAR-COM-4e090d3a-35
0.306
EDG-MED-0da5ad92-12
0.305
ANN-UNI-98d2bf15-2
0.302
JIN-POS-6dc588a4-3
0.302
DAR-DIA-23aa0b97-4
0.301
EDJ-MED-c8e7a002-2
0.300
MIC-UNK-66895286-1
0.300
ALP-POS-95b75b4d-7
0.299
ALP-POS-3b848b35-3
0.299
ANN-UNI-26382800-5
0.298
JOH-UNI-61f30276-4
0.297
MIC-UNK-66895286-2
0.296
RAL-MED-2de63afb-7
0.295
RAL-MED-2de63afb-12
0.294
SAM-UNK-2684b532-13
0.293
ALP-POS-95b75b4d-8
0.293
ANN-UNI-98d2bf15-5
0.292
DAR-DIA-8e329c92-10
0.292
JAN-GHE-5a013bed-9
0.291
EDJ-MED-c8e7a002-1
0.290
PET-UNK-8df914d1-1
0.290
EDJ-MED-00c1612e-1
0.290
MAR-TRE-8190bb11-4
0.289
MAT-POS-c20a539d-1
0.287
EDJ-MED-6e43a462-1
0.287
RAL-THA-6b94ceba-15
0.286
RAL-MED-2de63afb-8
0.286
JAN-GHE-83b26c96-13
0.286
MAR-TRE-3e4e6814-79
0.284
JAN-GHE-83b26c96-12
0.282
EDJ-MED-7bb79bc5-1
0.281
ALV-UNI-7ff1a6f9-47
0.281
WIL-UNI-1faa9b10-16
0.281
JOH-UNI-abfda500-5
0.279
ANN-UNI-98d2bf15-3
0.279
ERI-UCB-ce40166b-2
0.279
LON-WEI-adc59df6-12
0.279
MAK-UNK-27459e11-10
0.278
ALP-POS-95b75b4d-4
0.278
JIN-POS-6dc588a4-6
0.278
ERI-UCB-ce40166b-1
0.277
MAR-TRE-2fd8122f-35
0.277
EDJ-MED-6e43a462-2
0.277
MAR-TRE-74c6519b-19
0.276
JAN-GHE-1d98ec1c-6
0.276
MIC-UNK-66895286-3
0.274
ALP-POS-95b75b4d-6
0.274
SAD-SAT-7d5528d9-1
0.274
MAR-TRE-3e4e6814-8
0.274
ERI-UCB-ce40166b-4
0.273
DAR-DIA-0cde14eb-76
0.273
ALP-POS-95b75b4d-3
0.273
KEI-TRE-d5e2018a-64
0.273
DAR-DIA-23aa0b97-3
0.273
JAN-GHE-83b26c96-14
0.273
RAL-MED-2de63afb-13
0.272
MAR-TRE-1c920f6f-90
0.272
JIN-POS-6dc588a4-23
0.272
SAD-SAT-24589cd1-3
0.272
EDJ-MED-6e43a462-3
0.272
ALP-POS-95b75b4d-10
0.272
BRU-LEF-c49414a7-1
0.271
RAL-THA-901e9a10-7
0.271
TRY-UNI-714a760b-6
0.271
EDG-MED-0da5ad92-15
0.271
EDJ-MED-49816e9b-1
0.271