Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnc2cnccn12 |
| MW: | 286.06 |
| Fraction sp3: | 0.07 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 59.29 |
| cLogP: | 2.56 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
PET-UNK-8df914d1-2
0.657
EDJ-MED-6e43a462-6
0.639
EDJ-MED-b24713dc-1
0.630
EDJ-MED-6e43a462-1
0.597
EDJ-MED-6e43a462-9
0.589
EDJ-MED-b24713dc-3
0.566
EDJ-MED-6e43a462-10
0.566
EDJ-MED-6e43a462-8
0.566
EDJ-MED-6e43a462-12
0.558
EDJ-MED-6e43a462-4
0.553
EDJ-MED-6e43a462-13
0.544
EDJ-MED-6e43a462-2
0.544
EDJ-MED-6e43a462-7
0.539
EDJ-MED-b24713dc-4
0.538
EDJ-MED-b24713dc-2
0.513
PET-UNK-8df914d1-4
0.500
JAN-GHE-5a013bed-8
0.493
EDJ-MED-6e43a462-3
0.487
ALP-POS-95b75b4d-8
0.479
SAM-UNK-2684b532-13
0.479
CAR-UNK-140e3209-1
0.476
ALP-POS-95b75b4d-6
0.473
EDG-MED-0da5ad92-2
0.472
BEN-DND-02317c5c-1
0.468
TRY-UNI-714a760b-6
0.467
JAN-GHE-5a013bed-10
0.466
BEN-DND-1e24cf73-3
0.463
JIN-POS-6dc588a4-3
0.462
PET-UNK-8df914d1-5
0.462
JOH-UNI-abfda500-5
0.455
ANN-UNI-98d2bf15-3
0.455
JOH-UNI-abfda500-4
0.455
RUB-POS-1325a9ea-8
0.451
BEN-DND-1e24cf73-1
0.450
MAK-UNK-6ca90168-23
0.449
EDJ-MED-6e43a462-11
0.446
JIN-POS-6dc588a4-6
0.444
JAN-GHE-5a013bed-9
0.444
JIN-POS-6dc588a4-17
0.444
MAT-POS-bb423b95-5
0.443
JIN-POS-6dc588a4-4
0.443
SAM-UNK-2684b532-12
0.443
RUB-POS-1325a9ea-19
0.443
SAM-UNK-2684b532-11
0.443
BEN-DND-1e24cf73-7
0.442
ABI-SAT-4d06482b-2
0.442
BEN-DND-1e24cf73-2
0.440
BEN-DND-1e24cf73-5
0.440
EDJ-MED-49816e9b-2
0.440
ALP-POS-95b75b4d-7
0.438
BEN-DND-1e24cf73-4
0.437
EDG-MED-0da5ad92-14
0.434
JAN-GHE-5a013bed-11
0.432
MAT-POS-bb423b95-4
0.432
MAT-POS-bb423b95-1
0.432
ALP-POS-95b75b4d-5
0.432
AGN-NEW-c7b24fe3-1
0.430
PET-UNK-8df914d1-3
0.429
PET-UNK-e274cad4-6
0.427
EDJ-MED-50fe53e8-4
0.427
MAT-POS-bb423b95-3
0.427
BEN-DND-02317c5c-9
0.427
ALP-POS-0c2c77e1-1
0.427
BEN-DND-1e24cf73-6
0.425
PET-UNK-158bee2a-2
0.425
JAN-GHE-5a013bed-6
0.425
EDG-MED-0da5ad92-18
0.423
JIN-POS-6dc588a4-10
0.422
JIN-POS-6dc588a4-16
0.422
MAT-POS-f7918075-5
0.422
MAT-POS-bb423b95-2
0.422
MAT-POS-bb423b95-8
0.422
PET-UNK-158bee2a-3
0.421
EDG-MED-0da5ad92-13
0.421
JAG-UCB-a3ef7265-15
0.421
NAU-LAT-e1818702-7
0.421
JAG-UCB-a3ef7265-17
0.421
EDG-MED-0da5ad92-21
0.421
EDG-MED-0da5ad92-16
0.421
PET-UNK-e44ffd04-1
0.420
BEN-DND-02317c5c-8
0.420
NAU-LAT-a5c7d7cb-12
0.420
NAU-LAT-e1818702-10
0.419
JAN-GHE-5a013bed-7
0.419
EDG-MED-0da5ad92-17
0.418
AGN-NEW-c7b24fe3-5
0.418
TRY-UNI-714a760b-3
0.418
AGN-NEW-c7b24fe3-4
0.418
JIN-POS-6dc588a4-23
0.417
RUB-POS-1325a9ea-15
0.417
MAT-POS-f7918075-8
0.417
MIC-UNK-08cd9c58-1
0.417
MAT-POS-f7918075-3
0.417
EDJ-MED-49816e9b-3
0.416
EDG-MED-0da5ad92-12
0.416
JIN-POS-6dc588a4-2
0.415
EDJ-MED-50fe53e8-3
0.415
JIN-POS-6dc588a4-9
0.415
MAT-POS-14ad9fe9-1
0.414
PET-UNK-158bee2a-4
0.413