Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)[C@H](CNS(C)(=O)=O)c1ccc(Cl)cc1 |
MW: | 367.858 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.16 |
cLogP: | 2.31492 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
DAN-RED-da448e80-5
0.791
DAN-RED-da448e80-13
0.743
PED-UNI-5b7f1100-1
0.735
DRE-WAB-eb790b7a-1
0.735
PED-UNI-8d53fd73-1
0.735
DAN-RED-da448e80-1
0.735
DAN-RED-da448e80-17
0.587
EDG-MED-0da5ad92-5
0.494
BEN-DND-93268d01-3
0.493
BEN-DND-93268d01-2
0.487
JAN-GHE-83b26c96-8
0.463
MAK-UNK-f203cb68-3
0.447
WIL-WAB-6ef46ddb-1
0.440
PET-SGC-d5b502b1-1
0.440
SIM-DEM-f31d0e65-1
0.439
DRE-WAB-ae4a693c-1
0.438
PET-SGC-b0f8bd49-1
0.438
PET-SGC-d0156db4-1
0.438
BEN-DND-362d364a-12
0.438
TRY-UNI-2eddb1ff-3
0.436
MAT-POS-590ac91e-2
0.429
ERI-UCB-5b47150d-1
0.429
MAT-POS-590ac91e-1
0.429
MAT-POS-590ac91e-5
0.427
TRY-UNI-2eddb1ff-5
0.425
TRY-UNI-714a760b-18
0.425
JAN-GHE-83b26c96-4
0.425
JAN-GHE-83b26c96-5
0.425
TRY-UNI-2eddb1ff-4
0.425
DAN-RED-da448e80-11
0.424
RAL-THA-6b94ceba-12
0.424
DAN-RED-da448e80-10
0.422
ABI-SAT-4d06482b-1
0.421
NAU-LAT-3f5f3993-10
0.420
JAN-GHE-83b26c96-9
0.420
MAK-UNK-f203cb68-1
0.418
MAT-POS-590ac91e-13
0.411
ADA-UCB-6c2cb422-9
0.411
TRY-UNI-714a760b-12
0.410
JAG-UCB-cedd89ab-8
0.410
JAN-GHE-83b26c96-10
0.410
AHN-SAT-202241f6-1
0.408
TRY-UNI-714a760b-17
0.408
MAK-UNK-6ca90168-26
0.406
MAT-POS-5d20d11c-1
0.405
MAT-POS-590ac91e-16
0.405
BEN-DND-93268d01-14
0.405
MAT-POS-1e5f28a7-1
0.405
SAM-UNK-2684b532-10
0.404
DAN-RED-da448e80-12
0.404
MAT-POS-590ac91e-14
0.400
AAR-POS-d2a4d1df-3
0.400
VLA-UCB-05e51b3f-2
0.400
ASH-UNK-40b46b30-11
0.400
MAK-UNK-6435e6c2-8
0.400
NAU-LAT-a5c7d7cb-3
0.400
MAK-UNK-f203cb68-16
0.395
MAK-UNK-f203cb68-17
0.395
SAM-UNK-2684b532-1
0.395
TRY-UNI-714a760b-16
0.392
MAT-POS-590ac91e-11
0.392
TRY-UNI-1fd04853-3
0.391
WIL-MOD-03b86a88-5
0.391
MAK-UNK-f203cb68-15
0.391
ASH-SAT-43770c7d-9
0.389
TRY-UNI-714a760b-6
0.388
TRY-UNI-2eddb1ff-8
0.387
TRY-UNI-714a760b-4
0.387
ALE-HEI-f28a35b5-1
0.387
JAN-GHE-f4ca5a00-15
0.386
MAK-UNK-f203cb68-8
0.385
NAU-LAT-0543f7f2-2
0.383
ALP-POS-3fc1724e-7
0.380
EDG-MED-0da5ad92-8
0.375
BEN-DND-6de5dfa0-10
0.375
TRY-UNI-2eddb1ff-2
0.375
ANN-UNI-98d2bf15-1
0.375
RAL-THA-6b94ceba-14
0.375
JOH-UNI-abfda500-6
0.375
MAK-UNK-f203cb68-19
0.374
ALE-HEI-f28a35b5-13
0.373
IND-SYN-2c708b29-2
0.373
TRY-UNI-714a760b-22
0.372
ALE-HEI-f28a35b5-2
0.372
MAK-UNK-6ca90168-27
0.371
NAU-LAT-0543f7f2-7
0.371
MAK-UNK-6ca90168-24
0.370
MAK-UNK-f203cb68-6
0.370
SAM-UNK-2684b532-3
0.370
TRY-UNI-9f475305-3
0.370
ALP-POS-f13221e1-4
0.369
ALP-POS-3fc1724e-6
0.368
RAL-THA-6b94ceba-13
0.368
MAK-UNK-372b0df5-3
0.366
BAR-COM-0f94fc3d-19
0.365
ALP-POS-3fc1724e-5
0.364
NAU-LAT-0543f7f2-4
0.364
RAL-THA-6b94ceba-15
0.364
MAK-UNK-f203cb68-7
0.362
NAU-LAT-0543f7f2-8
0.362