Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NS(=O)(=O)/C=C/NC(=O)c1cccs1 |
| MW: | 323.399 |
| Fraction sp3: | 0.08 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 88.16 |
| cLogP: | 2.09442 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Activated double bonds (3)
Filter88_ene_sulfone
Hetero_hetero
AAR-POS-d2a4d1df-11
AGN-NEW-9315dc74-5
1.000
AGN-NEW-95323f67-6
0.558
AGN-NEW-9315dc74-1
0.558
IND-SYN-2c708b29-2
0.400
MAK-UNK-6ca90168-27
0.357
DAN-RED-da448e80-17
0.356
JAN-GHE-83b26c96-21
0.350
AAR-POS-d2a4d1df-3
0.343
MAK-UNK-6435e6c2-8
0.343
JAN-GHE-83b26c96-17
0.333
PET-SGC-6e7c5dc0-1
0.329
GAB-REV-70cc3ca5-20
0.325
ALE-HEI-f28a35b5-12
0.325
DAR-DIA-0cde14eb-68
0.322
MAK-UNK-372b0df5-3
0.321
ALE-HEI-f28a35b5-3
0.321
MIH-UNI-6b9ca91a-1
0.321
ERI-UCB-5b47150d-1
0.320
MAT-POS-590ac91e-2
0.320
MAT-POS-590ac91e-1
0.320
MAK-UNK-902cc841-15
0.319
MAK-UNK-f203cb68-14
0.319
EDJ-MED-e58735b6-3
0.318
LON-WEI-af038623-7
0.317
TRY-UNI-714a760b-5
0.316
MAK-UNK-6ca90168-26
0.315
MAR-TRE-67513f76-68
0.310
TRY-UNI-714a760b-6
0.310
JAN-GHE-83b26c96-13
0.310
AHN-SAT-202241f6-1
0.309
TRY-UNI-714a760b-17
0.309
ALE-HEI-f28a35b5-2
0.309
TRY-UNI-714a760b-10
0.305
MAT-POS-590ac91e-23
0.305
EDG-MED-0da5ad92-4
0.305
ABI-SAT-4d06482b-1
0.305
ALE-HEI-f28a35b5-6
0.305
MAT-POS-590ac91e-12
0.305
TRY-UNI-714a760b-4
0.304
ALE-HEI-f28a35b5-1
0.304
GAB-REV-70cc3ca5-3
0.303
MAR-TRE-67513f76-79
0.303
ASH-SAT-43770c7d-9
0.303
MAT-POS-590ac91e-29
0.302
ALE-HEI-f28a35b5-10
0.301
ALE-HEI-f28a35b5-17
0.300
SCO-VAN-260d9628-1
0.300
DAR-DIA-0cde14eb-64
0.300
JAN-GHE-83b26c96-11
0.300
JAN-GHE-83b26c96-4
0.299
TRY-UNI-2eddb1ff-5
0.299
JAN-GHE-83b26c96-5
0.299
TRY-UNI-2eddb1ff-4
0.299
TRY-UNI-714a760b-18
0.299
ANN-UNI-98d2bf15-1
0.298
TRY-UNI-714a760b-12
0.298
JAG-UCB-cedd89ab-8
0.298
JOH-UNI-abfda500-6
0.298
BAR-COM-0f94fc3d-25
0.297
RAL-THA-6b94ceba-13
0.297
MAT-POS-590ac91e-6
0.296
NAU-LAT-0543f7f2-8
0.296
ERI-UCB-5b47150d-4
0.295
TRY-UNI-bbd40bb4-6
0.295
ALP-POS-95b75b4d-2
0.294
BEN-DND-93268d01-14
0.294
MAK-UNK-6ca90168-24
0.294
EDJ-MED-e58735b6-2
0.294
DAR-DIA-0cde14eb-73
0.293
MAK-UNK-129dcd6f-9
0.293
MAK-UNK-372b0df5-2
0.293
MAT-POS-590ac91e-9
0.293
MAT-POS-590ac91e-5
0.293
BAR-COM-0f94fc3d-19
0.292
EDG-MED-0da5ad92-11
0.292
JAN-GHE-83b26c96-20
0.292
GAB-REV-70cc3ca5-14
0.292
PET-SGC-a3e47117-1
0.292
ALE-HEI-f28a35b5-13
0.291
MAT-POS-590ac91e-11
0.291
MAT-POS-590ac91e-13
0.291
EDG-MED-0da5ad92-3
0.291
MAT-POS-590ac91e-27
0.291
ALP-POS-95b75b4d-1
0.291
EDG-MED-0da5ad92-19
0.291
BEN-DND-93268d01-4
0.291
MAT-POS-590ac91e-14
0.291
JAN-GHE-83b26c96-12
0.291
WIL-MOD-03b86a88-5
0.290
RAL-THA-6b94ceba-14
0.290
GAB-REV-70cc3ca5-11
0.290
ASH-UNK-40b46b30-16
0.290
GAB-REV-70cc3ca5-15
0.290
BEN-DND-93268d01-9
0.289
BEN-DND-09b88bf4-5
0.289
DAR-DIA-6a508060-12
0.289
DAR-DIA-0cde14eb-79
0.289
SAM-UNK-2684b532-4
0.289
MAT-POS-590ac91e-16
0.287
MAT-POS-5d20d11c-1
0.287