Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1ncc2ccccn12 |
| MW: | 285.07 |
| Fraction sp3: | 0.07 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.4 |
| cLogP: | 3.17 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-50fe53e8-4
1.000
PET-UNK-e44ffd04-1
0.541
NAU-LAT-a5c7d7cb-12
0.541
BEN-DND-02317c5c-8
0.541
PET-UNK-8df914d1-2
0.513
EDJ-MED-50fe53e8-3
0.474
VLA-UNK-411a133b-2
0.472
JAG-UCB-a3ef7265-15
0.466
JAG-UCB-a3ef7265-17
0.466
NAU-LAT-e1818702-7
0.466
JAN-GHE-5a013bed-8
0.458
NAU-LAT-e1818702-1
0.455
JAN-GHE-f4ca5a00-12
0.455
EDJ-MED-b24713dc-4
0.451
NAU-LAT-e1818702-8
0.450
EDG-MED-0da5ad92-13
0.446
RUB-POS-1325a9ea-18
0.444
EDJ-MED-6e43a462-4
0.444
EDJ-MED-49816e9b-3
0.440
MIC-UNK-66895286-1
0.438
JIN-POS-6dc588a4-9
0.438
NAU-LAT-e1818702-9
0.432
JAN-GHE-5a013bed-6
0.431
JAN-GHE-5a013bed-9
0.431
EDJ-MED-6e43a462-5
0.427
EDJ-MED-6e43a462-6
0.427
PET-UNK-8df914d1-4
0.427
PET-UNK-158bee2a-3
0.427
JOH-UNI-6fede743-2
0.422
EDJ-MED-b24713dc-1
0.422
EDJ-MED-6e43a462-9
0.420
JAN-GHE-5a013bed-11
0.419
PET-UNK-158bee2a-4
0.419
EDG-MED-0da5ad92-2
0.419
PET-UNK-8df914d1-3
0.416
EDG-MED-0da5ad92-15
0.416
JIN-POS-6dc588a4-17
0.415
NAU-LAT-a5c7d7cb-11
0.415
EDJ-MED-6e43a462-7
0.415
BEN-DND-1e24cf73-3
0.415
JOH-UNI-6fede743-4
0.415
JAN-GHE-5a013bed-10
0.413
PET-UNK-8df914d1-5
0.412
BEN-DND-a02b439d-5
0.411
BEN-DND-a02b439d-6
0.411
PET-UNK-158bee2a-2
0.411
ABI-SAT-4d06482b-2
0.410
EDJ-MED-c8e7a002-17
0.410
EDJ-MED-076d6e64-1
0.410
RUB-POS-1325a9ea-11
0.410
JOH-UNI-6fede743-1
0.410
EDG-MED-0da5ad92-21
0.408
VLA-UNK-411a133b-1
0.408
ALP-POS-95b75b4d-8
0.408
SAM-UNK-2684b532-13
0.408
EDJ-MED-49816e9b-2
0.408
EDG-MED-0da5ad92-16
0.408
ALP-POS-3b848b35-3
0.407
EDJ-MED-b24713dc-2
0.407
EDJ-MED-6e43a462-13
0.407
BEN-DND-a02b439d-4
0.407
JAN-GHE-5a013bed-7
0.405
NAU-LAT-e1818702-10
0.405
EDG-MED-0da5ad92-17
0.405
RUB-POS-1325a9ea-22
0.405
RUB-POS-1325a9ea-8
0.405
EDJ-MED-6e43a462-10
0.405
EDJ-MED-b24713dc-3
0.405
EDJ-MED-6e43a462-8
0.405
ALP-POS-95b75b4d-6
0.403
EDG-MED-0da5ad92-12
0.403
EDJ-MED-49816e9b-5
0.403
EDG-MED-0da5ad92-14
0.403
BEN-DND-1e24cf73-1
0.402
RUB-POS-1325a9ea-17
0.402
EDJ-MED-6e43a462-1
0.402
AGN-NEW-c7b24fe3-1
0.400
JOH-UNI-3fc3434e-8
0.400
JOH-UNI-ee5ed7c8-8
0.400
EDJ-MED-6e43a462-12
0.400
MAK-UNK-6ca90168-23
0.400
JOH-UNI-3fc3434e-11
0.398
JOH-UNI-ee5ed7c8-11
0.398
PET-UNK-e274cad4-6
0.398
TRY-UNI-714a760b-6
0.397
JIN-POS-6dc588a4-24
0.393
EDJ-MED-c8e7a002-7
0.393
MAT-POS-199e2e7c-2
0.393
JIN-POS-6dc588a4-21
0.393
EDG-MED-0da5ad92-18
0.392
EDJ-MED-6e43a462-2
0.391
ADA-UCB-6c2cb422-1
0.390
VLA-UCB-00f2c2b3-7
0.390
JAN-GHE-f4ca5a00-17
0.390
JAN-GHE-5a013bed-5
0.389
EDJ-MED-6e43a462-3
0.388
JIN-POS-6dc588a4-23
0.388
RUB-POS-1325a9ea-15
0.388
AGN-NEW-c7b24fe3-5
0.388
TRY-UNI-714a760b-3
0.388