Molecular Properties | |
SMILES: | Cc1ccncc1NS(C)(=O)=O |
MW: | 186.236 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 59.06 |
cLogP: | 0.76152 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-021-370-945 |
Hetero_hetero
MAK-UNK-6435e6c2-8
AAR-POS-d2a4d1df-3
0.500
MAK-UNK-6435e6c2-8
0.500
JAN-GHE-83b26c96-17
0.491
IND-SYN-2c708b29-3
0.489
JAN-GHE-83b26c96-21
0.473
MAK-UNK-6ca90168-26
0.468
MAK-UNK-6ca90168-27
0.447
ERI-UCB-5b47150d-4
0.423
ASH-UNK-40b46b30-11
0.422
ALE-HEI-f28a35b5-13
0.415
MAT-POS-590ac91e-1
0.412
ERI-UCB-5b47150d-1
0.412
MAT-POS-590ac91e-2
0.412
ASH-SAT-43770c7d-9
0.412
AHN-SAT-202241f6-1
0.411
TRY-UNI-714a760b-17
0.411
WIL-MOD-03b86a88-5
0.409
SIM-DEM-f31d0e65-1
0.406
MAT-POS-590ac91e-12
0.404
DAR-DIA-6a508060-12
0.404
MAK-UNK-372b0df5-3
0.400
AGN-NEW-95323f67-1
0.400
AGN-NEW-9315dc74-5
0.400
BEN-DND-6de5dfa0-3
0.393
NAU-LAT-3f5f3993-5
0.393
BEN-DND-09b88bf4-3
0.393
PET-SGC-6e7c5dc0-1
0.393
MAT-POS-590ac91e-18
0.393
MAT-POS-590ac91e-19
0.393
GAB-REV-70cc3ca5-3
0.391
MAT-POS-590ac91e-21
0.390
MAT-POS-590ac91e-13
0.389
MAT-POS-590ac91e-11
0.389
ALE-HEI-f28a35b5-12
0.389
ERI-UCB-5b47150d-6
0.386
DRE-WAB-eb790b7a-1
0.385
PED-UNI-8d53fd73-1
0.385
DAN-RED-da448e80-1
0.385
PED-UNI-5b7f1100-1
0.385
GAB-REV-70cc3ca5-20
0.383
ALE-HEI-f28a35b5-1
0.382
MAT-POS-590ac91e-16
0.382
MAT-POS-5d20d11c-1
0.382
TRY-UNI-714a760b-4
0.382
ABI-SAT-4d06482b-1
0.379
MAT-POS-590ac91e-22
0.379
DAN-RED-da448e80-17
0.379
TRY-UNI-2eddb1ff-3
0.377
TRY-UNI-714a760b-5
0.375
SCO-VAN-260d9628-1
0.375
JAN-GHE-83b26c96-11
0.375
ALE-HEI-f28a35b5-17
0.375
DAN-RED-da448e80-5
0.373
DAN-RED-da448e80-9
0.373
MAT-POS-590ac91e-24
0.373
BEN-DND-93268d01-3
0.373
MAT-POS-590ac91e-26
0.373
MAT-POS-590ac91e-6
0.368
WIL-WAB-6ef46ddb-1
0.368
PET-SGC-d5b502b1-1
0.368
RAL-THA-6b94ceba-12
0.368
MAK-UNK-372b0df5-1
0.368
ALE-HEI-f28a35b5-11
0.367
MAT-POS-590ac91e-8
0.367
NAU-LAT-3f5f3993-10
0.366
TRY-UNI-714a760b-18
0.365
TRY-UNI-2eddb1ff-4
0.365
TRY-UNI-2eddb1ff-5
0.365
JAN-GHE-83b26c96-5
0.365
JAN-GHE-83b26c96-4
0.365
MIH-UNI-3396182e-1
0.364
DAN-RED-da448e80-13
0.362
MAT-POS-590ac91e-9
0.362
TRY-UNI-714a760b-11
0.362
MAT-POS-590ac91e-5
0.362
ALE-HEI-f28a35b5-2
0.362
ALE-HEI-f28a35b5-7
0.362
MAT-POS-590ac91e-7
0.362
TRY-UNI-714a760b-6
0.361
MIH-UNI-3396182e-4
0.359
GAB-REV-70cc3ca5-21
0.356
ALE-HEI-f28a35b5-3
0.356
EDG-MED-0da5ad92-4
0.356
TRY-UNI-714a760b-10
0.356
BEN-DND-93268d01-9
0.356
BEN-DND-93268d01-11
0.356
BEN-DND-09b88bf4-5
0.356
ALE-HEI-f28a35b5-6
0.356
MAT-POS-590ac91e-23
0.356
MIH-UNI-6b9ca91a-1
0.356
BEN-DND-93268d01-4
0.355
MAT-POS-590ac91e-14
0.355
MAK-UNK-372b0df5-2
0.353
TRY-UNI-1fd04853-3
0.351
ALE-HEI-f28a35b5-10
0.350
BEN-DND-93268d01-10
0.350
MAT-POS-590ac91e-4
0.350
EDJ-MED-c9f55a56-1
0.350
LON-WEI-af038623-7
0.350
MAT-POS-590ac91e-10
0.350