Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnc2ccncn12 |
| MW: | 286.06 |
| Fraction sp3: | 0.07 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 59.29 |
| cLogP: | 2.56 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-6e43a462-5
0.639
PET-UNK-8df914d1-2
0.634
EDJ-MED-6e43a462-9
0.634
EDJ-MED-6e43a462-12
0.622
EDJ-MED-6e43a462-10
0.608
EDJ-MED-b24713dc-3
0.608
EDJ-MED-6e43a462-8
0.608
EDJ-MED-6e43a462-13
0.584
EDJ-MED-6e43a462-2
0.584
EDJ-MED-b24713dc-1
0.566
EDJ-MED-6e43a462-4
0.553
EDJ-MED-6e43a462-1
0.537
PET-UNK-8df914d1-4
0.521
EDJ-MED-6e43a462-7
0.519
EDJ-MED-b24713dc-4
0.519
EDJ-MED-b24713dc-2
0.513
BEN-DND-1e24cf73-1
0.506
BEN-DND-1e24cf73-3
0.500
EDJ-MED-6e43a462-3
0.487
PET-UNK-8df914d1-5
0.481
CAR-UNK-140e3209-1
0.476
BEN-DND-1e24cf73-5
0.476
JAN-GHE-5a013bed-8
0.472
ALP-POS-95b75b4d-8
0.459
SAM-UNK-2684b532-13
0.459
BEN-DND-1e24cf73-2
0.458
JOH-UNI-abfda500-4
0.455
ALP-POS-95b75b4d-6
0.453
EDG-MED-0da5ad92-2
0.452
TRY-UNI-714a760b-6
0.447
JAN-GHE-5a013bed-10
0.446
EDJ-MED-6e43a462-11
0.446
PET-UNK-158bee2a-2
0.444
JAN-GHE-5a013bed-9
0.444
SAM-UNK-2684b532-11
0.443
EDG-MED-0da5ad92-13
0.440
BEN-DND-1e24cf73-4
0.437
ANN-UNI-98d2bf15-3
0.436
JOH-UNI-abfda500-5
0.436
RUB-POS-1325a9ea-8
0.434
JAN-GHE-5a013bed-11
0.432
BEN-DND-02317c5c-1
0.432
MAK-UNK-6ca90168-23
0.430
MAT-POS-bb423b95-3
0.427
JIN-POS-6dc588a4-17
0.427
BEN-DND-02317c5c-9
0.427
EDJ-MED-50fe53e8-4
0.427
ALP-POS-0c2c77e1-1
0.427
BEN-DND-1e24cf73-7
0.425
BEN-DND-1e24cf73-6
0.425
RUB-POS-1325a9ea-19
0.425
JIN-POS-6dc588a4-4
0.425
JIN-POS-6dc588a4-3
0.425
SAM-UNK-2684b532-12
0.425
MAT-POS-bb423b95-5
0.425
JAN-GHE-5a013bed-6
0.425
ABI-SAT-4d06482b-2
0.423
MAT-POS-f7918075-5
0.422
MAT-POS-bb423b95-2
0.422
MAT-POS-199e2e7c-2
0.422
EDJ-MED-c8e7a002-17
0.422
EDJ-MED-c8e7a002-16
0.422
JIN-POS-6dc588a4-10
0.422
VLA-UNK-411a133b-1
0.421
EDJ-MED-49816e9b-2
0.421
JAG-UCB-a3ef7265-17
0.421
NAU-LAT-e1818702-7
0.421
PET-UNK-e44ffd04-1
0.420
NAU-LAT-a5c7d7cb-12
0.420
BEN-DND-02317c5c-8
0.420
ALP-POS-95b75b4d-7
0.420
EDG-MED-0da5ad92-12
0.416
EDJ-MED-49816e9b-3
0.416
EDG-MED-0da5ad92-14
0.416
MAT-POS-bb423b95-1
0.415
JIN-POS-6dc588a4-2
0.415
ALP-POS-95b75b4d-5
0.415
MAT-POS-bb423b95-4
0.415
MAT-POS-90fd5f68-22
0.414
MIC-UNK-66895286-1
0.413
PET-UNK-158bee2a-4
0.413
NAU-LAT-e1818702-1
0.412
JAN-GHE-f4ca5a00-12
0.412
EDG-MED-0da5ad92-15
0.410
PET-UNK-8df914d1-3
0.410
JIN-POS-6dc588a4-6
0.410
NAU-LAT-e1818702-8
0.410
VLA-UNK-411a133b-2
0.408
EDG-MED-0da5ad92-18
0.405
EDJ-MED-c8e7a002-7
0.405
EDJ-MED-076d6e64-1
0.405
JIN-POS-6dc588a4-16
0.405
EDJ-MED-c8e7a002-8
0.405
JAN-GHE-5a013bed-5
0.403
EDG-MED-0da5ad92-21
0.403
PET-UNK-158bee2a-3
0.403
JAG-UCB-a3ef7265-15
0.403
EDG-MED-0da5ad92-16
0.403
EDG-MED-0da5ad92-1
0.400
TRY-UNI-714a760b-3
0.400