Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccccc1-n1cncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 325.1 |
| Fraction sp3: | 0.11 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 46.92 |
| cLogP: | 4.02 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
BEN-DND-1e24cf73-4
0.707
BEN-DND-1e24cf73-5
0.699
BEN-DND-1e24cf73-1
0.608
PET-UNK-8df914d1-4
0.563
BEN-DND-1e24cf73-6
0.549
PET-UNK-8df914d1-5
0.500
EDJ-MED-b24713dc-4
0.500
BEN-DND-1e24cf73-3
0.463
EDG-MED-0da5ad92-16
0.461
EDG-MED-0da5ad92-21
0.461
JAG-UCB-a3ef7265-15
0.461
EDJ-MED-6e43a462-6
0.458
EDJ-MED-b24713dc-2
0.457
EDJ-MED-49816e9b-3
0.455
EDG-MED-0da5ad92-12
0.455
EDJ-MED-b24713dc-1
0.452
EDJ-MED-b24713dc-3
0.452
PET-UNK-8df914d1-2
0.451
EDJ-MED-6e43a462-9
0.451
PET-UNK-8df914d1-3
0.449
TRY-UNI-714a760b-6
0.449
EDJ-MED-6e43a462-12
0.447
PET-UNK-158bee2a-3
0.442
VLA-UNK-411a133b-1
0.442
EDJ-MED-6e43a462-5
0.440
EDJ-MED-6e43a462-13
0.437
EDJ-MED-6e43a462-10
0.435
EDG-MED-0da5ad92-15
0.430
EDJ-MED-6e43a462-11
0.430
JAN-GHE-5a013bed-9
0.427
ABI-SAT-4d06482b-2
0.425
MIC-UNK-50cce87d-3
0.424
RUB-POS-1325a9ea-3
0.424
EDJ-MED-6e43a462-4
0.424
RUB-POS-1325a9ea-5
0.424
JAG-UCB-a3ef7265-17
0.423
EDG-MED-0da5ad92-13
0.423
NAU-LAT-e1818702-7
0.423
EDJ-MED-49816e9b-2
0.423
EDJ-MED-6e43a462-2
0.420
EDG-MED-0da5ad92-17
0.420
TRY-UNI-714a760b-3
0.420
EDJ-MED-6e43a462-8
0.419
EDJ-MED-6e43a462-3
0.419
EDJ-MED-49816e9b-5
0.418
JIN-POS-6dc588a4-9
0.417
BEN-DND-02317c5c-13
0.417
MAT-POS-bb423b95-1
0.417
EDJ-MED-6e43a462-1
0.416
JAN-GHE-5a013bed-8
0.416
EDG-MED-0da5ad92-2
0.416
EDJ-MED-c8e7a002-4
0.414
EDJ-MED-6e43a462-7
0.412
BEN-DND-1e24cf73-7
0.411
JAN-GHE-5a013bed-10
0.410
VLA-UNK-411a133b-2
0.410
MIC-UNK-d935700b-1
0.410
RUB-POS-1325a9ea-19
0.410
JAN-GHE-5a013bed-6
0.408
PET-UNK-158bee2a-2
0.408
EDG-MED-0da5ad92-18
0.407
EDJ-MED-076d6e64-1
0.407
SAM-UNK-2684b532-13
0.405
ALP-POS-95b75b4d-8
0.405
RUB-POS-1325a9ea-8
0.402
ALP-POS-95b75b4d-6
0.400
EDG-MED-0da5ad92-14
0.400
MIC-UNK-66895286-1
0.397
NAU-LAT-e1818702-8
0.395
PET-UNK-e274cad4-6
0.395
MAT-POS-bb423b95-3
0.395
NAU-LAT-a5c7d7cb-11
0.395
ALP-POS-0c2c77e1-1
0.395
MAT-POS-29385cc1-4
0.393
EDJ-MED-c8e7a002-6
0.393
JIN-POS-6dc588a4-3
0.393
MAT-POS-bb423b95-5
0.393
MAT-POS-199e2e7c-1
0.391
ALP-POS-3b848b35-3
0.388
ADA-UCB-6c2cb422-1
0.388
JAN-GHE-5a013bed-5
0.387
RUB-POS-1325a9ea-15
0.386
JOH-UNI-abfda500-4
0.386
JOH-UNI-abfda500-5
0.386
JAN-GHE-83b26c96-15
0.386
EDG-MED-0da5ad92-1
0.386
ANN-UNI-98d2bf15-3
0.386
NAU-LAT-e1818702-10
0.385
JAN-GHE-5a013bed-7
0.385
EDJ-MED-239d8ca5-1
0.385
EDJ-MED-50fe53e8-3
0.384
MAT-POS-bb423b95-4
0.384
ALP-POS-95b75b4d-5
0.384
RUB-POS-1325a9ea-4
0.382
MAT-POS-c20a539d-6
0.382
MAT-POS-29385cc1-3
0.382
JIN-POS-6dc588a4-18
0.382
PET-UNK-e274cad4-1
0.382
RUB-POS-1325a9ea-14
0.382
JAN-GHE-f4ca5a00-12
0.381