Molecular Properties | |
SMILES: | COc1ccc([C@@H](CNS(C)(=O)=O)C(=O)Nc2cnccc2C)cc1 |
MW: | 363.439 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 97.39 |
cLogP: | 1.67012 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
DAN-RED-da448e80-5
0.743
DAN-RED-da448e80-9
0.743
PED-UNI-8d53fd73-1
0.714
PED-UNI-5b7f1100-1
0.714
DAN-RED-da448e80-1
0.714
DRE-WAB-eb790b7a-1
0.714
DAN-RED-da448e80-17
0.592
BEN-DND-93268d01-2
0.513
BEN-DND-93268d01-3
0.480
MAT-POS-590ac91e-1
0.457
MAT-POS-590ac91e-2
0.457
ERI-UCB-5b47150d-1
0.457
SIM-DEM-f31d0e65-1
0.446
BAR-COM-0f94fc3d-19
0.439
DAN-RED-da448e80-15
0.436
DAN-RED-da448e80-14
0.435
PET-SGC-d5b502b1-1
0.430
WIL-WAB-6ef46ddb-1
0.430
EDG-MED-0da5ad92-5
0.427
DAN-RED-da448e80-16
0.421
MAT-POS-590ac91e-5
0.416
EDJ-MED-e58735b6-1
0.415
GAB-REV-70cc3ca5-15
0.414
MAT-POS-5d20d11c-1
0.413
MAT-POS-590ac91e-16
0.413
NAU-LAT-3f5f3993-10
0.411
ABI-SAT-4d06482b-1
0.410
PET-SGC-b0f8bd49-1
0.410
BEN-DND-362d364a-12
0.410
PET-SGC-d0156db4-1
0.410
DRE-WAB-ae4a693c-1
0.410
JAN-GHE-83b26c96-8
0.402
ADA-UCB-6c2cb422-9
0.402
ALP-POS-3fc1724e-7
0.400
MAT-POS-590ac91e-13
0.400
AHN-SAT-202241f6-1
0.397
TRY-UNI-714a760b-17
0.397
SAM-UNK-2684b532-10
0.396
BEN-DND-93268d01-14
0.395
ASH-UNK-40b46b30-11
0.391
MAT-POS-590ac91e-14
0.390
MAK-UNK-f203cb68-3
0.389
MAK-UNK-6435e6c2-8
0.388
AAR-POS-d2a4d1df-3
0.388
TRY-UNI-1fd04853-3
0.383
TRY-UNI-714a760b-16
0.383
TRY-UNI-714a760b-18
0.381
JAN-GHE-83b26c96-4
0.381
JAN-GHE-83b26c96-5
0.381
TRY-UNI-2eddb1ff-5
0.381
TRY-UNI-2eddb1ff-4
0.381
MAT-POS-1e5f28a7-1
0.379
TRY-UNI-2eddb1ff-8
0.379
JAN-GHE-f4ca5a00-15
0.379
ASH-SAT-43770c7d-9
0.378
BAR-COM-0f94fc3d-58
0.375
NAU-LAT-0543f7f2-2
0.375
MAK-UNK-6ca90168-26
0.375
TRY-UNI-2eddb1ff-3
0.373
MAT-POS-c9973a83-1
0.368
RAL-THA-6b94ceba-12
0.367
BEN-DND-6de5dfa0-10
0.366
MAK-UNK-f203cb68-1
0.365
MAT-POS-590ac91e-11
0.364
TRY-UNI-714a760b-22
0.364
ANN-UNI-98d2bf15-5
0.364
ALE-HEI-f28a35b5-13
0.364
ALE-HEI-f28a35b5-2
0.362
MAT-POS-590ac91e-9
0.362
IND-SYN-2c708b29-2
0.362
BEN-DND-93268d01-13
0.361
MAK-UNK-6ca90168-27
0.361
ALP-POS-3fc1724e-6
0.361
JAN-GHE-83b26c96-9
0.360
MAT-POS-0d6fb2dd-1
0.360
MAT-POS-6c3d76b3-1
0.360
DAR-DIA-0cde14eb-70
0.360
ALE-HEI-f28a35b5-1
0.359
TRY-UNI-714a760b-4
0.359
CHR-SOS-1f323c23-6
0.359
ALP-POS-3fc1724e-5
0.358
MAK-UNK-372b0df5-3
0.357
MAK-UNK-f203cb68-17
0.356
DAR-DIA-0cde14eb-73
0.356
RAL-THA-901e9a10-5
0.354
BEN-DND-09b88bf4-3
0.353
NAU-LAT-3f5f3993-5
0.353
BEN-DND-6de5dfa0-3
0.353
JAN-GHE-83b26c96-10
0.352
MAK-UNK-902cc841-15
0.352
CHR-SOS-363cfb78-8
0.351
PET-SGC-6e7c5dc0-1
0.350
MAT-POS-590ac91e-6
0.350
ALE-HEI-f28a35b5-11
0.349
PED-UNI-292b67d6-1
0.348
CHR-SOS-1f323c23-12
0.348
MAK-UNK-902cc841-17
0.348
NAU-LAT-a5c7d7cb-3
0.347
VLA-UCB-05e51b3f-2
0.347
ALE-HEI-f28a35b5-12
0.346