Molecular Properties | |
SMILES: | CNc1ccc2ncc(NC(=O)Cc3cccc(Cl)c3)n2c1 |
MW: | 314.09 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 58.43 |
cLogP: | 3.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-6e43a462-9
0.710
EDJ-MED-b24713dc-3
0.704
EDJ-MED-6e43a462-13
0.699
EDJ-MED-6e43a462-10
0.681
EDJ-MED-6e43a462-8
0.681
EDJ-MED-6e43a462-2
0.676
EDJ-MED-6e43a462-6
0.622
PET-UNK-8df914d1-2
0.616
EDJ-MED-b24713dc-1
0.571
EDJ-MED-6e43a462-5
0.558
EDJ-MED-6e43a462-1
0.543
EDJ-MED-b24713dc-2
0.519
EDJ-MED-6e43a462-4
0.519
PET-UNK-8df914d1-4
0.507
EDJ-MED-b24713dc-4
0.506
EDJ-MED-6e43a462-3
0.494
EDJ-MED-6e43a462-7
0.487
BEN-DND-1e24cf73-3
0.487
PET-UNK-8df914d1-5
0.468
EDG-MED-0da5ad92-13
0.467
CAR-UNK-140e3209-1
0.465
BEN-DND-1e24cf73-1
0.457
EDJ-MED-6e43a462-11
0.452
BEN-DND-1e24cf73-5
0.447
BEN-DND-1e24cf73-2
0.447
EDJ-MED-49816e9b-3
0.442
BEN-DND-02317c5c-1
0.439
JAN-GHE-5a013bed-9
0.432
BEN-DND-1e24cf73-7
0.432
BEN-DND-1e24cf73-4
0.427
EDG-MED-0da5ad92-12
0.423
EDG-MED-0da5ad92-2
0.421
JAN-GHE-5a013bed-8
0.421
MIC-UNK-66895286-1
0.421
BEN-DND-1e24cf73-6
0.416
VLA-UNK-411a133b-2
0.416
JAN-GHE-5a013bed-10
0.416
JAN-GHE-5a013bed-6
0.413
PET-UNK-158bee2a-2
0.413
ABI-SAT-4d06482b-2
0.412
EDJ-MED-49816e9b-2
0.410
NAU-LAT-e1818702-7
0.410
JAG-UCB-a3ef7265-17
0.410
JAG-UCB-a3ef7265-15
0.410
PET-UNK-158bee2a-3
0.410
EDG-MED-0da5ad92-16
0.410
EDG-MED-0da5ad92-21
0.410
VLA-UNK-411a133b-1
0.410
ALP-POS-3b848b35-3
0.410
EDG-MED-0da5ad92-17
0.407
RUB-POS-1325a9ea-15
0.407
EDG-MED-0da5ad92-14
0.405
EDJ-MED-49816e9b-5
0.405
EDJ-MED-239d8ca5-1
0.404
MAT-POS-90fd5f68-22
0.404
JAN-GHE-5a013bed-11
0.403
PET-UNK-158bee2a-4
0.403
JAN-GHE-f4ca5a00-12
0.402
NAU-LAT-e1818702-1
0.402
RUB-POS-1325a9ea-14
0.402
PET-UNK-e274cad4-1
0.402
PET-UNK-f4e47ebd-2
0.400
TRY-UNI-714a760b-6
0.400
PET-UNK-8df914d1-3
0.400
EDJ-MED-50fe53e8-4
0.400
PET-UNK-e274cad4-6
0.400
BEN-DND-02317c5c-9
0.400
EDG-MED-0da5ad92-18
0.395
NAU-LAT-a5c7d7cb-12
0.393
PET-UNK-e44ffd04-1
0.393
BEN-DND-02317c5c-8
0.393
ALP-POS-95b75b4d-8
0.392
SAM-UNK-2684b532-13
0.392
EDJ-MED-239d8ca5-2
0.391
TRY-UNI-714a760b-3
0.390
NAU-LAT-e1818702-10
0.390
JAN-GHE-5a013bed-7
0.390
MAT-POS-90fd5f68-4
0.389
JIN-POS-6dc588a4-9
0.388
EDJ-MED-c8e7a002-12
0.388
MIC-UNK-51049f1a-6
0.388
ALP-POS-95b75b4d-6
0.388
MAT-POS-90fd5f68-30
0.387
PET-UNK-f4e47ebd-1
0.385
JIN-POS-6dc588a4-17
0.384
PET-UNK-7f7e354d-7
0.384
EDG-MED-0da5ad92-15
0.383
MAT-POS-c20a539d-2
0.382
MIC-UNK-f2576da4-1
0.382
MIC-UNK-d935700b-1
0.381
JIN-POS-6dc588a4-3
0.381
RUB-POS-1325a9ea-19
0.381
MAT-POS-bb423b95-5
0.381
RUB-POS-1325a9ea-5
0.379
EDJ-MED-c5ca5386-1
0.379
MIC-UNK-50cce87d-3
0.379
EDJ-MED-076d6e64-1
0.379
MAT-POS-f7918075-5
0.379
EDJ-MED-c8e7a002-7
0.379
EDJ-MED-c8e7a002-17
0.379