Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nn1nncc1C1CC1 |
| MW: | 276.08 |
| Fraction sp3: | 0.31 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 59.81 |
| cLogP: | 2.12 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
JAN-GHE-f4ca5a00-20
0.537
JAN-GHE-f4ca5a00-14
0.534
JAN-GHE-5a013bed-1
0.507
JAN-GHE-f4ca5a00-16
0.500
MAT-POS-bfb445d4-2
0.493
JAN-GHE-5a013bed-5
0.485
JAN-GHE-f4ca5a00-23
0.447
EDG-MED-0da5ad92-15
0.427
PET-UNK-8df914d1-5
0.423
JAN-GHE-5a013bed-4
0.419
MIC-UNK-13557a72-1
0.413
ALP-POS-95b75b4d-5
0.412
MAT-POS-bb423b95-4
0.412
ALP-POS-90e38439-2
0.411
MIC-UNK-42806bd5-1
0.411
MAT-POS-500ca5bf-2
0.411
NAU-LAT-e1818702-1
0.410
JAN-GHE-f4ca5a00-12
0.410
ALP-POS-8b8a49e1-6
0.405
JAN-GHE-5a013bed-2
0.405
NAM-UNK-f7c77a48-3
0.403
JAN-GHE-5a013bed-6
0.403
MIC-UNK-d935700b-2
0.402
NAU-LAT-e1818702-10
0.397
JAN-GHE-5a013bed-7
0.397
ALP-POS-8b8a49e1-7
0.397
EDJ-MED-49816e9b-5
0.395
EDG-MED-0da5ad92-2
0.392
EDJ-MED-50fe53e8-4
0.390
MIC-UNK-fc94cdb5-1
0.387
MIC-UNK-42806bd5-2
0.387
ALP-POS-90e38439-3
0.387
ALP-POS-8b8a49e1-5
0.387
JAN-GHE-5a013bed-3
0.386
ALP-POS-8b8a49e1-8
0.385
MIC-UNK-4c7b8ba7-1
0.385
JAN-GHE-5a013bed-9
0.384
NAU-LAT-a5c7d7cb-12
0.383
PET-UNK-e44ffd04-1
0.383
JAG-UCB-a3ef7265-17
0.382
JAG-UCB-a3ef7265-15
0.382
NAM-UNK-f7c77a48-4
0.382
EDG-MED-0da5ad92-16
0.382
NAU-LAT-e1818702-7
0.382
PET-UNK-8df914d1-4
0.382
PET-UNK-8df914d1-2
0.378
EDJ-MED-49816e9b-3
0.377
NAU-LAT-e1818702-9
0.373
EDJ-MED-50fe53e8-1
0.373
MAT-POS-3cc264b0-1
0.373
MIC-UNK-66895286-1
0.373
JAN-GHE-5a013bed-8
0.373
MAT-POS-0bc33984-2
0.372
MIC-UNK-b12b7f76-2
0.370
NAU-LAT-a5c7d7cb-14
0.369
EDJ-MED-c8e7a002-8
0.369
JAN-GHE-5a013bed-10
0.368
MIC-UNK-8373f97b-5
0.366
EDG-MED-0da5ad92-21
0.364
EDG-MED-0da5ad92-13
0.364
SAM-UNK-2684b532-13
0.364
ALP-POS-95b75b4d-8
0.364
EDJ-MED-49816e9b-2
0.364
MAT-POS-0bc33984-1
0.362
EDJ-MED-50fe53e8-3
0.361
VLA-UCB-1dbca3b4-1
0.361
ALP-POS-90e38439-1
0.361
NAU-LAT-a5c7d7cb-13
0.361
MIC-UNK-8373f97b-4
0.361
EDG-MED-0da5ad92-12
0.359
ALP-POS-95b75b4d-6
0.359
EDJ-MED-a364e151-3
0.357
NAU-LAT-e1818702-8
0.357
MAT-POS-f7918075-6
0.357
EDJ-MED-50fe53e8-2
0.357
ALP-POS-0c2c77e1-1
0.357
MAT-POS-bb423b95-3
0.357
JAN-GHE-5a013bed-11
0.355
PET-UNK-8df914d1-3
0.354
TRY-UNI-714a760b-6
0.354
MAT-POS-199e2e7c-1
0.353
SAD-SAT-b55127ae-1
0.351
ABI-SAT-4d06482b-2
0.350
EDG-MED-0da5ad92-18
0.350
ALP-POS-3b848b35-3
0.349
ADA-UCB-6c2cb422-1
0.349
NAU-LAT-a5c7d7cb-10
0.349
EDJ-MED-c8e7a002-11
0.349
VLA-UCB-00f2c2b3-7
0.349
EDJ-MED-a364e151-1
0.349
TRY-UNI-714a760b-3
0.346
AGN-NEW-c7b24fe3-4
0.346
EDG-MED-0da5ad92-17
0.346
EDG-MED-0da5ad92-1
0.346
ANN-UNI-98d2bf15-3
0.346
JAN-GHE-83b26c96-15
0.346
MAT-POS-bb423b95-9
0.345
MAT-POS-f7918075-7
0.345
MIC-UNK-8373f97b-2
0.345
EDJ-MED-c8e7a002-4
0.345