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
EDJ-MED-c8e7a002-6
0.481
NAU-LAT-a5c7d7cb-10
0.481
EDJ-MED-c8e7a002-11
0.481
EDJ-MED-49816e9b-3
0.479
MAT-POS-4211dce8-1
0.474
EDG-MED-0da5ad92-15
0.473
EDJ-MED-50fe53e8-1
0.468
MAT-POS-3cc264b0-1
0.468
NAU-LAT-e1818702-7
0.466
JAG-UCB-a3ef7265-17
0.466
PET-UNK-8df914d1-4
0.466
EDJ-MED-49816e9b-5
0.459
JAN-GHE-5a013bed-5
0.449
MAT-POS-0c8fa4a7-3
0.449
JAG-UCB-a3ef7265-15
0.446
JOH-UNI-6fede743-2
0.439
JAN-GHE-5a013bed-9
0.431
MAT-POS-bb423b95-5
0.430
MAT-POS-bb423b95-6
0.425
JOH-UNI-6fede743-3
0.425
ADA-UCB-6c2cb422-1
0.425
EDG-MED-0da5ad92-12
0.421
EDG-MED-0da5ad92-2
0.419
MAT-POS-e1b5ac6b-1
0.415
JOH-UNI-6fede743-4
0.415
EDJ-MED-50fe53e8-2
0.415
MAT-POS-f7918075-6
0.415
NAU-LAT-e1818702-8
0.415
EDJ-MED-50fe53e8-4
0.415
JAN-GHE-5a013bed-2
0.412
JAN-GHE-5a013bed-6
0.411
EDJ-MED-c8e7a002-9
0.410
MAT-POS-199e2e7c-2
0.410
EDJ-MED-c8e7a002-16
0.410
JAN-GHE-5a013bed-3
0.410
JOH-UNI-6fede743-1
0.410
EDG-MED-0da5ad92-16
0.408
EDG-MED-0da5ad92-13
0.408
EDJ-MED-49816e9b-2
0.408
EDG-MED-0da5ad92-21
0.408
PET-UNK-e44ffd04-1
0.407
MAT-POS-bfb445d4-2
0.407
NAU-LAT-a5c7d7cb-12
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
JAN-GHE-5a013bed-8
0.400
JAN-GHE-5a013bed-11
0.400
JOH-UNI-3fc3434e-8
0.400
MAK-UNK-6ca90168-23
0.400
EDJ-MED-c8e7a002-4
0.400
JOH-UNI-ee5ed7c8-8
0.400
MIC-UNK-66895286-1
0.400
JAN-GHE-f4ca5a00-12
0.400
NAU-LAT-e1818702-1
0.400
NAU-LAT-e1818702-9
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
EDJ-MED-c8e7a002-7
0.393
MAT-POS-199e2e7c-1
0.393
ABI-SAT-4d06482b-2
0.392
EDG-MED-0da5ad92-18
0.392
SAM-UNK-2684b532-13
0.390
ALP-POS-95b75b4d-8
0.390
JAN-GHE-5a013bed-4
0.390
MIC-UNK-08cd9c58-1
0.388
MAT-POS-f7918075-3
0.388
EDG-MED-0da5ad92-17
0.388
MAT-POS-bb423b95-9
0.386
MAT-POS-bb423b95-4
0.386
ALP-POS-95b75b4d-5
0.386
ALP-POS-95b75b4d-6
0.385
JOH-UNI-3fc3434e-11
0.382
JOH-UNI-ee5ed7c8-11
0.382
MAT-POS-0c8fa4a7-4
0.381
ALP-POS-6495d03e-7
0.381
MIC-UNK-d935700b-1
0.378
JAN-GHE-5a013bed-1
0.377
EDJ-MED-c8e7a002-8
0.376
EDJ-MED-c8e7a002-17
0.376
MAT-POS-bb423b95-2
0.376
JOH-UNI-6fede743-5
0.375
ALP-POS-3b848b35-3
0.373
VLA-UCB-00f2c2b3-7
0.373
EDJ-MED-c8e7a002-2
0.372
MAT-POS-f7918075-8
0.372
MAT-POS-14ad9fe9-1
0.371
JOH-UNI-abfda500-4
0.370
JOH-UNI-abfda500-5
0.370
AGN-NEW-c7b24fe3-5
0.370
ANN-UNI-98d2bf15-3
0.370
AGN-NEW-c7b24fe3-4
0.370
MIC-UNK-50cce87d-2
0.369