Molecule Details
| Molecular Properties | |
| SMILES: | Cn1nnnc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 251.06 |
| Fraction sp3: | 0.2 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 72.7 |
| cLogP: | 1.04 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
JAG-UCB-a3ef7265-15
0.617
NAU-LAT-e1818702-7
0.617
JAG-UCB-a3ef7265-17
0.617
EDJ-MED-49816e9b-5
0.581
VLA-UNK-411a133b-1
0.565
EDJ-MED-49816e9b-3
0.556
JAN-GHE-f4ca5a00-12
0.522
NAU-LAT-e1818702-1
0.522
NAU-LAT-e1818702-10
0.516
JAN-GHE-5a013bed-7
0.516
PET-UNK-8df914d1-4
0.516
JAN-GHE-5a013bed-11
0.508
BEN-DND-02317c5c-8
0.507
PET-UNK-e44ffd04-1
0.507
NAU-LAT-a5c7d7cb-12
0.507
EDJ-MED-c8e7a002-8
0.507
PET-UNK-8df914d1-3
0.500
JAN-GHE-5a013bed-1
0.500
JAN-GHE-5a013bed-9
0.500
NAU-LAT-e1818702-8
0.493
NAU-LAT-e1818702-9
0.493
EDJ-MED-97c1bf5c-2
0.487
MIC-UNK-66895286-1
0.484
EDG-MED-0da5ad92-15
0.478
JAN-GHE-5a013bed-6
0.476
PET-UNK-158bee2a-2
0.476
JAN-GHE-5a013bed-5
0.475
NAU-LAT-a5c7d7cb-11
0.472
BEN-DND-02317c5c-9
0.472
EDJ-MED-50fe53e8-4
0.472
EDG-MED-0da5ad92-18
0.471
EDG-MED-0da5ad92-21
0.470
EDJ-MED-49816e9b-2
0.470
EDG-MED-0da5ad92-16
0.470
EDG-MED-0da5ad92-13
0.470
PET-UNK-158bee2a-3
0.470
EDJ-MED-c8e7a002-6
0.467
EDJ-MED-b24713dc-2
0.465
RUB-POS-1325a9ea-22
0.464
EDG-MED-0da5ad92-12
0.463
EDG-MED-0da5ad92-14
0.463
EDG-MED-0da5ad92-2
0.462
JAN-GHE-5a013bed-8
0.462
PET-UNK-158bee2a-4
0.462
RUB-POS-1325a9ea-15
0.459
TRY-UNI-714a760b-6
0.456
JAN-GHE-5a013bed-10
0.455
PET-UNK-e274cad4-1
0.453
RUB-POS-1325a9ea-14
0.453
PET-UNK-e274cad4-6
0.452
MAT-POS-bb423b95-5
0.451
ABI-SAT-4d06482b-2
0.449
ALP-POS-95b75b4d-8
0.448
SAM-UNK-2684b532-13
0.448
VLA-UCB-00f2c2b3-7
0.444
TRY-UNI-714a760b-3
0.443
EDG-MED-0da5ad92-17
0.443
JOH-UNI-abfda500-5
0.443
ANN-UNI-98d2bf15-3
0.443
ALP-POS-95b75b4d-6
0.441
MAT-POS-4211dce8-1
0.438
EDJ-MED-50fe53e8-3
0.438
JAG-UCB-a3ef7265-11
0.435
EDJ-MED-c8e7a002-4
0.434
BEN-DND-1e24cf73-3
0.432
PET-UNK-8df914d1-5
0.431
RUB-POS-1325a9ea-19
0.431
MIC-UNK-d935700b-1
0.431
JIN-POS-6dc588a4-3
0.431
MIC-UNK-f2576da4-1
0.429
EDJ-MED-c8e7a002-7
0.427
EDJ-MED-c8e7a002-17
0.427
EDJ-MED-076d6e64-1
0.427
NAU-LAT-a5c7d7cb-10
0.425
EDJ-MED-c8e7a002-11
0.425
ADA-UCB-6c2cb422-1
0.425
JOH-UNI-abfda500-4
0.423
AGN-NEW-c7b24fe3-4
0.423
AGN-NEW-c7b24fe3-5
0.423
PET-UNK-158bee2a-1
0.423
VLA-UNK-4cf5aa07-1
0.423
EDJ-MED-6e43a462-3
0.421
EDJ-MED-c8e7a002-2
0.421
EDJ-MED-c8e7a002-15
0.421
JIN-POS-6dc588a4-23
0.421
EDJ-MED-b24713dc-3
0.421
EDJ-MED-b24713dc-1
0.421
BEN-DND-1e24cf73-1
0.419
PET-UNK-8df914d1-2
0.419
EDJ-MED-6e43a462-9
0.419
MIC-UNK-50cce87d-2
0.419
EDJ-MED-6ab52e52-1
0.419
JIN-POS-6dc588a4-9
0.419
AGN-NEW-c7b24fe3-1
0.417
VLA-UNK-4cf5aa07-2
0.417
MAK-UNK-6ca90168-23
0.417
EDJ-MED-b24713dc-4
0.416
EDJ-MED-6e43a462-12
0.416
MAT-POS-3cc264b0-1
0.413
EDJ-MED-50fe53e8-1
0.413