Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)[C@H](CNS(C)(=O)=O)c1ccc(F)cc1 |
MW: | 351.403 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.16 |
cLogP: | 1.80062 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
DAN-RED-da448e80-9
0.791
DAN-RED-da448e80-13
0.743
DRE-WAB-eb790b7a-1
0.735
PED-UNI-5b7f1100-1
0.735
DAN-RED-da448e80-1
0.735
PED-UNI-8d53fd73-1
0.735
DAN-RED-da448e80-17
0.587
BEN-DND-93268d01-3
0.493
BEN-DND-93268d01-2
0.487
PET-SGC-d5b502b1-1
0.440
WIL-WAB-6ef46ddb-1
0.440
ABI-SAT-4d06482b-1
0.440
SIM-DEM-f31d0e65-1
0.439
EDG-MED-0da5ad92-5
0.438
MAT-POS-590ac91e-1
0.429
MAT-POS-590ac91e-2
0.429
ERI-UCB-5b47150d-1
0.429
MAT-POS-590ac91e-5
0.427
MAT-POS-5d20d11c-1
0.425
MAT-POS-590ac91e-16
0.425
DAN-RED-da448e80-7
0.424
BEN-DND-93268d01-5
0.423
DAN-RED-da448e80-6
0.422
NAU-LAT-3f5f3993-10
0.420
DRE-WAB-ae4a693c-1
0.420
PET-SGC-b0f8bd49-1
0.420
PET-SGC-d0156db4-1
0.420
BEN-DND-362d364a-12
0.420
JAN-GHE-83b26c96-8
0.412
MAT-POS-590ac91e-13
0.411
TRY-UNI-714a760b-17
0.408
AHN-SAT-202241f6-1
0.408
BEN-DND-93268d01-14
0.405
SAM-UNK-2684b532-10
0.404
DAN-RED-da448e80-8
0.404
MAT-POS-590ac91e-14
0.400
AAR-POS-d2a4d1df-3
0.400
ALP-POS-95b75b4d-1
0.400
ASH-UNK-40b46b30-11
0.400
MAK-UNK-6435e6c2-8
0.400
MAK-UNK-f203cb68-3
0.398
TRY-UNI-714a760b-16
0.392
TRY-UNI-1fd04853-3
0.391
ASH-SAT-43770c7d-9
0.389
MAK-UNK-6ca90168-26
0.386
TRY-UNI-2eddb1ff-3
0.383
ADA-UCB-6c2cb422-9
0.381
BAR-COM-0f94fc3d-19
0.381
RAL-THA-6b94ceba-12
0.375
BEN-DND-6de5dfa0-10
0.375
JAN-GHE-83b26c96-4
0.373
TRY-UNI-2eddb1ff-4
0.373
TRY-UNI-2eddb1ff-5
0.373
JAN-GHE-83b26c96-5
0.373
TRY-UNI-714a760b-18
0.373
MAT-POS-590ac91e-11
0.373
ALE-HEI-f28a35b5-13
0.373
IND-SYN-2c708b29-2
0.373
MAK-UNK-f203cb68-1
0.372
TRY-UNI-714a760b-22
0.372
ALE-HEI-f28a35b5-7
0.372
TRY-UNI-714a760b-11
0.372
ALE-HEI-f28a35b5-2
0.372
MAK-UNK-6ca90168-27
0.371
JAN-GHE-83b26c96-9
0.369
ALE-HEI-f28a35b5-1
0.368
TRY-UNI-714a760b-4
0.368
MAK-UNK-372b0df5-3
0.366
DAR-DIA-0cde14eb-72
0.364
MAK-UNK-f203cb68-17
0.364
BEN-DND-09b88bf4-3
0.361
NAU-LAT-3f5f3993-5
0.361
BEN-DND-6de5dfa0-3
0.361
DAR-DIA-0cde14eb-79
0.360
JAN-GHE-83b26c96-10
0.360
MAK-UNK-902cc841-15
0.360
JAN-GHE-f4ca5a00-15
0.359
PET-SGC-6e7c5dc0-1
0.359
MAT-POS-590ac91e-6
0.359
ALE-HEI-f28a35b5-11
0.358
TRY-UNI-2eddb1ff-8
0.358
BEN-DND-93268d01-7
0.357
MAT-POS-1e5f28a7-1
0.356
DAR-DIA-0cde14eb-12
0.356
MAK-UNK-902cc841-17
0.356
ALE-HEI-f28a35b5-12
0.355
NAU-LAT-a5c7d7cb-3
0.355
VLA-UCB-05e51b3f-2
0.355
MAT-POS-590ac91e-7
0.354
ERI-UCB-5b47150d-6
0.354
EDJ-MED-e58735b6-2
0.354
ALP-POS-95b75b4d-2
0.354
GAB-REV-70cc3ca5-20
0.354
NAU-LAT-3f5f3993-2
0.354
JAN-GHE-83b26c96-13
0.354
BEN-DND-93268d01-13
0.354
JAN-GHE-83b26c96-14
0.353
ALP-POS-95b75b4d-3
0.353
DAR-DIA-0cde14eb-76
0.353
DAR-DIA-0cde14eb-70
0.352