Molecule Details
| Molecular Properties | |
| SMILES: | Cn1nc(NC(=O)Cc2cccc(Cl)c2)c2ccccc21 |
| MW: | 299.08 |
| Fraction sp3: | 0.12 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.92 |
| cLogP: | 3.41 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-50fe53e8-3
0.513
JIN-POS-6dc588a4-8
0.500
EDJ-MED-c8e7a002-6
0.481
EDJ-MED-c8e7a002-11
0.481
NAU-LAT-a5c7d7cb-10
0.481
EDJ-MED-49816e9b-3
0.479
MAT-POS-4211dce8-1
0.474
JIN-POS-6dc588a4-7
0.474
EDG-MED-0da5ad92-15
0.473
VLA-UNK-411a133b-2
0.472
MAT-POS-3cc264b0-1
0.468
EDJ-MED-50fe53e8-1
0.468
NAU-LAT-e1818702-7
0.466
PET-UNK-8df914d1-4
0.466
JAG-UCB-a3ef7265-17
0.466
VLA-UNK-411a133b-1
0.466
EDJ-MED-49816e9b-5
0.459
VLA-UNK-4cf5aa07-2
0.455
JAN-GHE-5a013bed-5
0.449
MAT-POS-0c8fa4a7-3
0.449
JAG-UCB-a3ef7265-15
0.446
PET-UNK-158bee2a-1
0.442
VLA-UNK-4cf5aa07-1
0.442
JOH-UNI-6fede743-2
0.439
RUB-POS-1325a9ea-15
0.439
JIN-POS-6dc588a4-2
0.438
JIN-POS-6dc588a4-9
0.438
RUB-POS-1325a9ea-14
0.434
PET-UNK-e274cad4-1
0.434
JAN-GHE-5a013bed-9
0.431
MAT-POS-bb423b95-5
0.430
JIN-POS-6dc588a4-5
0.430
PET-UNK-158bee2a-3
0.427
ADA-UCB-6c2cb422-1
0.425
JOH-UNI-6fede743-3
0.425
MAT-POS-bb423b95-6
0.425
JIN-POS-6dc588a4-19
0.425
RUB-POS-1325a9ea-22
0.423
JIN-POS-6dc588a4-23
0.422
EDG-MED-0da5ad92-12
0.421
RUB-POS-1325a9ea-17
0.420
EDG-MED-0da5ad92-2
0.419
MAT-POS-e1b5ac6b-1
0.415
MAT-POS-f7918075-6
0.415
EDJ-MED-50fe53e8-4
0.415
BEN-DND-02317c5c-9
0.415
JOH-UNI-6fede743-4
0.415
NAU-LAT-e1818702-8
0.415
ROB-UNI-daaf9793-1
0.415
EDJ-MED-50fe53e8-2
0.415
JAN-GHE-5a013bed-2
0.412
PET-UNK-158bee2a-2
0.411
JAN-GHE-5a013bed-6
0.411
JIN-POS-6dc588a4-24
0.410
RUB-POS-1325a9ea-18
0.410
JAN-GHE-5a013bed-3
0.410
JIN-POS-6dc588a4-21
0.410
JIN-POS-6dc588a4-16
0.410
EDJ-MED-c8e7a002-16
0.410
MAT-POS-199e2e7c-2
0.410
EDJ-MED-076d6e64-1
0.410
JOH-UNI-6fede743-1
0.410
EDJ-MED-c8e7a002-9
0.410
EDJ-MED-49816e9b-2
0.408
EDG-MED-0da5ad92-16
0.408
EDG-MED-0da5ad92-13
0.408
EDG-MED-0da5ad92-21
0.408
MAT-POS-bfb445d4-2
0.407
PET-UNK-e44ffd04-1
0.407
NAU-LAT-a5c7d7cb-12
0.407
BEN-DND-02317c5c-8
0.407
EDJ-MED-c8e7a002-1
0.407
NAU-LAT-e1818702-10
0.405
JAN-GHE-5a013bed-7
0.405
TRY-UNI-714a760b-3
0.405
EDJ-MED-c8e7a002-15
0.405
EDG-MED-0da5ad92-14
0.403
PET-UNK-8df914d1-2
0.402
PET-UNK-158bee2a-4
0.400
MIC-UNK-66895286-1
0.400
JOH-UNI-3fc3434e-8
0.400
MAK-UNK-6ca90168-23
0.400
JAN-GHE-5a013bed-8
0.400
JAN-GHE-5a013bed-11
0.400
EDJ-MED-c8e7a002-4
0.400
NAU-LAT-e1818702-1
0.400
JOH-UNI-ee5ed7c8-8
0.400
JAN-GHE-f4ca5a00-12
0.400
NAU-LAT-e1818702-9
0.398
PET-UNK-e274cad4-6
0.398
JIN-POS-6dc588a4-13
0.398
TRY-UNI-714a760b-6
0.397
PET-UNK-8df914d1-3
0.397
PET-UNK-8df914d1-5
0.395
JAN-GHE-5a013bed-10
0.395
MAT-POS-199e2e7c-1
0.393
RUB-POS-1325a9ea-5
0.393
EDJ-MED-c8e7a002-7
0.393
JIN-POS-6dc588a4-15
0.393
EDG-MED-0da5ad92-18
0.392