Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cccn2c(NC(=O)Cc3cccc(Cl)c3)cnc12 |
| MW: | 299.08 |
| Fraction sp3: | 0.12 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.4 |
| cLogP: | 3.48 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
PET-UNK-8df914d1-2
0.573
EDJ-MED-6e43a462-9
0.553
EDJ-MED-b24713dc-1
0.551
EDJ-MED-6e43a462-5
0.538
EDJ-MED-6e43a462-4
0.538
EDJ-MED-b24713dc-3
0.532
EDJ-MED-6e43a462-1
0.524
EDJ-MED-6e43a462-6
0.519
PET-UNK-8df914d1-4
0.507
BEN-DND-1e24cf73-3
0.506
EDJ-MED-6e43a462-12
0.506
EDJ-MED-b24713dc-2
0.500
BEN-DND-1e24cf73-2
0.500
EDJ-MED-6e43a462-13
0.494
EDJ-MED-6e43a462-2
0.494
EDJ-MED-6e43a462-10
0.494
EDJ-MED-6e43a462-8
0.494
EDJ-MED-6e43a462-7
0.469
PET-UNK-8df914d1-5
0.468
BEN-DND-1e24cf73-7
0.465
MAT-POS-51833a24-4
0.462
EDG-MED-0da5ad92-17
0.462
EDJ-MED-49816e9b-3
0.461
EDJ-MED-6e43a462-3
0.458
TRY-UNI-714a760b-6
0.455
PET-UNK-8df914d1-3
0.455
BEN-DND-02317c5c-9
0.451
EDJ-MED-50fe53e8-4
0.451
ABI-SAT-4d06482b-2
0.449
PET-UNK-158bee2a-3
0.447
EDJ-MED-49816e9b-2
0.447
JAG-UCB-a3ef7265-15
0.447
EDG-MED-0da5ad92-13
0.447
EDG-MED-0da5ad92-16
0.447
EDG-MED-0da5ad92-12
0.442
EDJ-MED-49816e9b-5
0.442
EDG-MED-0da5ad92-14
0.442
JAN-GHE-5a013bed-8
0.440
BEN-DND-1e24cf73-1
0.439
EDG-MED-0da5ad92-15
0.436
EDJ-MED-6e43a462-11
0.435
EDJ-MED-c8e7a002-4
0.435
JAN-GHE-5a013bed-10
0.434
JAN-GHE-5a013bed-9
0.432
CAR-UNK-140e3209-1
0.432
EDG-MED-0da5ad92-18
0.430
BEN-DND-1e24cf73-5
0.430
MIC-UNK-50cce87d-3
0.429
RUB-POS-1325a9ea-5
0.429
JAG-UCB-a3ef7265-17
0.429
NAU-LAT-e1818702-7
0.429
EDG-MED-0da5ad92-21
0.429
EDJ-MED-c8e7a002-17
0.429
RUB-POS-1325a9ea-3
0.429
BEN-DND-1e24cf73-4
0.427
PET-UNK-e44ffd04-1
0.427
NAU-LAT-a5c7d7cb-12
0.427
BEN-DND-02317c5c-8
0.427
TRY-UNI-714a760b-3
0.425
RUB-POS-1325a9ea-8
0.424
EDG-MED-0da5ad92-2
0.421
PET-UNK-e274cad4-6
0.417
BEN-DND-1e24cf73-6
0.416
VLA-UNK-411a133b-2
0.416
JAN-GHE-5a013bed-6
0.413
EDJ-MED-7bb79bc5-1
0.411
ALP-POS-95b75b4d-8
0.410
SAM-UNK-2684b532-13
0.410
VLA-UNK-411a133b-1
0.410
NAU-LAT-e1818702-10
0.408
JAN-GHE-5a013bed-7
0.408
ALP-POS-95b75b4d-6
0.405
EDJ-MED-50fe53e8-3
0.405
EDJ-MED-239d8ca5-1
0.404
JAN-GHE-5a013bed-11
0.403
MIC-UNK-66895286-1
0.403
PET-UNK-158bee2a-4
0.403
PET-UNK-7f7e354d-7
0.400
MAT-POS-29385cc1-4
0.398
JIN-POS-6dc588a4-4
0.398
JIN-POS-6dc588a4-3
0.398
SAM-UNK-2684b532-12
0.398
MAT-POS-bb423b95-5
0.398
RUB-POS-1325a9ea-19
0.398
MIC-UNK-d935700b-1
0.398
JAN-GHE-5a013bed-1
0.397
EDJ-MED-076d6e64-1
0.395
RUB-POS-1325a9ea-11
0.395
MAT-POS-199e2e7c-1
0.395
PET-UNK-158bee2a-2
0.395
EDJ-MED-239d8ca5-2
0.391
MAT-POS-f7918075-3
0.391
MIC-UNK-8971c93c-1
0.391
MAT-POS-f7918075-4
0.391
MIC-UNK-08cd9c58-1
0.391
RUB-POS-1325a9ea-15
0.391
ANN-UNI-98d2bf15-3
0.390
JOH-UNI-abfda500-4
0.390
JAN-GHE-83b26c96-15
0.390
AGN-NEW-c7b24fe3-4
0.390