Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)[C@H](CNS(C)(=O)=O)c1cccs1 |
MW: | 339.442 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.16 |
cLogP: | 1.72302 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
PED-UNI-5b7f1100-1
0.648
PED-UNI-8d53fd73-1
0.648
DRE-WAB-eb790b7a-1
0.648
DAN-RED-da448e80-1
0.648
DAN-RED-da448e80-13
0.592
DAN-RED-da448e80-9
0.587
DAN-RED-da448e80-5
0.587
BEN-DND-93268d01-3
0.500
MAK-UNK-902cc841-15
0.481
BEN-DND-93268d01-2
0.474
WIL-WAB-6ef46ddb-1
0.463
PET-SGC-d5b502b1-1
0.463
EDG-MED-0da5ad92-5
0.462
ABI-SAT-4d06482b-1
0.446
NAU-LAT-3f5f3993-10
0.442
MAT-POS-590ac91e-1
0.435
ERI-UCB-5b47150d-1
0.435
MAT-POS-590ac91e-2
0.435
JAN-GHE-83b26c96-8
0.434
TRY-UNI-714a760b-17
0.432
AHN-SAT-202241f6-1
0.432
MAT-POS-590ac91e-5
0.432
SIM-DEM-f31d0e65-1
0.427
DAN-RED-da448e80-19
0.422
DAN-RED-da448e80-18
0.420
MAK-UNK-f203cb68-3
0.419
MAT-POS-590ac91e-13
0.417
MAT-POS-5d20d11c-1
0.411
MAT-POS-590ac91e-16
0.411
BEN-DND-93268d01-14
0.410
TRY-UNI-714a760b-22
0.410
SAM-UNK-2684b532-10
0.409
DAN-RED-da448e80-20
0.407
MAK-UNK-6435e6c2-8
0.406
AAR-POS-d2a4d1df-3
0.406
ASH-UNK-40b46b30-11
0.405
BEN-DND-6de5dfa0-10
0.397
TRY-UNI-714a760b-16
0.397
MAT-POS-590ac91e-11
0.397
MAK-UNK-6ca90168-27
0.397
TRY-UNI-2eddb1ff-5
0.395
JAN-GHE-83b26c96-4
0.395
TRY-UNI-2eddb1ff-4
0.395
TRY-UNI-714a760b-18
0.395
JAN-GHE-83b26c96-5
0.395
ASH-SAT-43770c7d-9
0.394
MAK-UNK-f203cb68-1
0.391
MAK-UNK-6ca90168-26
0.391
JAN-GHE-83b26c96-9
0.390
MAT-POS-590ac91e-14
0.388
MAK-UNK-372b0df5-3
0.388
BAR-COM-0f94fc3d-19
0.386
ADA-UCB-6c2cb422-9
0.385
JAN-GHE-83b26c96-10
0.381
TRY-UNI-1fd04853-3
0.380
RAL-THA-6b94ceba-12
0.379
MAK-UNK-f203cb68-14
0.379
IND-SYN-2c708b29-2
0.379
ALE-HEI-f28a35b5-13
0.378
TRY-UNI-714a760b-11
0.377
ALE-HEI-f28a35b5-7
0.377
MAT-POS-1e5f28a7-1
0.376
MAK-UNK-902cc841-17
0.375
NAU-LAT-a5c7d7cb-3
0.374
VLA-UCB-05e51b3f-2
0.374
PET-SGC-d0156db4-1
0.373
PET-SGC-b0f8bd49-1
0.373
BEN-DND-362d364a-12
0.373
DRE-WAB-ae4a693c-1
0.373
ALE-HEI-f28a35b5-1
0.373
TRY-UNI-714a760b-4
0.373
DAR-DIA-0cde14eb-70
0.372
MIH-UNI-6b9ca91a-1
0.372
TRY-UNI-2eddb1ff-3
0.370
BEN-DND-93268d01-4
0.370
TRY-UNI-714a760b-5
0.368
SAM-UNK-2684b532-1
0.368
MIH-UNI-6b9ca91a-2
0.367
BEN-DND-6de5dfa0-3
0.366
BEN-DND-09b88bf4-3
0.366
NAU-LAT-3f5f3993-5
0.366
EDJ-MED-e58735b6-3
0.365
DAR-DIA-0cde14eb-10
0.364
JAN-GHE-f4ca5a00-15
0.363
DAR-DIA-0cde14eb-15
0.363
MAT-POS-590ac91e-8
0.362
JOH-UNI-abfda500-6
0.362
ALE-HEI-f28a35b5-11
0.362
ANN-UNI-98d2bf15-1
0.362
TRY-UNI-2eddb1ff-8
0.362
DAR-DIA-0cde14eb-61
0.360
ALE-HEI-f28a35b5-12
0.360
DAR-DIA-0cde14eb-13
0.360
DAR-DIA-0cde14eb-11
0.360
DAR-DIA-0cde14eb-12
0.360
MAT-POS-590ac91e-7
0.359
ERI-UCB-5b47150d-6
0.359
ALE-HEI-f28a35b5-2
0.359
SAM-UNK-2684b532-3
0.359
TRY-UNI-9f475305-3
0.359