Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnc2ccc(Cl)cn12 |
| MW: | 319.03 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.4 |
| cLogP: | 3.82 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-6e43a462-8
0.721
EDJ-MED-6e43a462-10
0.721
EDJ-MED-b24713dc-3
0.721
EDJ-MED-6e43a462-12
0.710
EDJ-MED-6e43a462-2
0.690
EDJ-MED-6e43a462-13
0.690
PET-UNK-8df914d1-2
0.652
EDJ-MED-6e43a462-6
0.634
EDJ-MED-6e43a462-5
0.589
EDJ-MED-b24713dc-1
0.581
EDJ-MED-b24713dc-4
0.553
EDJ-MED-6e43a462-1
0.551
EDJ-MED-6e43a462-4
0.547
EDJ-MED-b24713dc-2
0.527
EDJ-MED-6e43a462-7
0.513
EDJ-MED-6e43a462-3
0.500
PET-UNK-8df914d1-4
0.493
BEN-DND-1e24cf73-3
0.474
PET-UNK-8df914d1-5
0.474
CAR-UNK-140e3209-1
0.470
BEN-DND-1e24cf73-5
0.469
EDJ-MED-6e43a462-11
0.457
BEN-DND-1e24cf73-2
0.451
EDJ-MED-49816e9b-3
0.446
JAN-GHE-5a013bed-8
0.444
BEN-DND-1e24cf73-1
0.443
BEN-DND-02317c5c-1
0.443
JAN-GHE-5a013bed-10
0.438
JAN-GHE-5a013bed-6
0.437
JAN-GHE-5a013bed-9
0.437
BEN-DND-1e24cf73-7
0.435
EDJ-MED-49816e9b-2
0.432
EDG-MED-0da5ad92-13
0.432
EDG-MED-0da5ad92-16
0.432
VLA-UNK-411a133b-1
0.432
PET-UNK-158bee2a-3
0.432
EDG-MED-0da5ad92-17
0.429
JAN-GHE-5a013bed-11
0.425
EDG-MED-0da5ad92-2
0.425
MIC-UNK-66895286-1
0.425
PET-UNK-158bee2a-4
0.425
TRY-UNI-714a760b-6
0.421
PET-UNK-8df914d1-3
0.421
BEN-DND-02317c5c-9
0.420
EDJ-MED-50fe53e8-4
0.420
VLA-UNK-411a133b-2
0.419
PET-UNK-158bee2a-2
0.417
EDG-MED-0da5ad92-18
0.416
ABI-SAT-4d06482b-2
0.416
BEN-DND-1e24cf73-4
0.414
JAG-UCB-a3ef7265-15
0.413
JAG-UCB-a3ef7265-17
0.413
NAU-LAT-e1818702-7
0.413
EDG-MED-0da5ad92-21
0.413
ALP-POS-95b75b4d-8
0.413
SAM-UNK-2684b532-13
0.413
PET-UNK-e44ffd04-1
0.412
NAU-LAT-a5c7d7cb-12
0.412
BEN-DND-02317c5c-8
0.412
JAN-GHE-5a013bed-7
0.411
NAU-LAT-e1818702-10
0.411
AGN-NEW-c7b24fe3-5
0.410
EDJ-MED-49816e9b-5
0.408
EDG-MED-0da5ad92-14
0.408
ALP-POS-95b75b4d-6
0.408
EDG-MED-0da5ad92-12
0.408
NAU-LAT-e1818702-1
0.405
JAN-GHE-f4ca5a00-12
0.405
EDG-MED-0da5ad92-15
0.403
JIN-POS-6dc588a4-17
0.402
BEN-DND-1e24cf73-6
0.402
SAM-UNK-2684b532-11
0.400
MIC-UNK-d935700b-2
0.398
EDJ-MED-c8e7a002-17
0.398
ALP-POS-3b848b35-3
0.395
JAN-GHE-5a013bed-5
0.394
MAT-POS-f7918075-8
0.393
RUB-POS-1325a9ea-8
0.393
RUB-POS-1325a9ea-22
0.392
AGN-NEW-c7b24fe3-4
0.392
JOH-UNI-abfda500-5
0.392
TRY-UNI-714a760b-3
0.392
VLA-UNK-4cf5aa07-1
0.392
ANN-UNI-98d2bf15-3
0.392
PET-UNK-158bee2a-1
0.392
JOH-UNI-abfda500-4
0.392
JIN-POS-6dc588a4-9
0.390
EDJ-MED-50fe53e8-3
0.390
MIC-UNK-51049f1a-6
0.390
JIN-POS-6dc588a4-7
0.390
RUB-POS-1325a9ea-17
0.390
EDJ-MED-c8e7a002-12
0.390
MAK-UNK-6ca90168-23
0.388
AGN-NEW-c7b24fe3-1
0.388
PET-UNK-f4e47ebd-2
0.386
JOH-UNI-6fede743-4
0.386
PET-UNK-e274cad4-6
0.386
JIN-POS-6dc588a4-13
0.386
SAM-UNK-2684b532-12
0.383
MAT-POS-bb423b95-5
0.383