Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nn1cncc1C1CC1 |
| MW: | 275.08 |
| Fraction sp3: | 0.29 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 46.92 |
| cLogP: | 2.73 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
JAN-GHE-f4ca5a00-16
0.563
JAN-GHE-f4ca5a00-17
0.534
JAN-GHE-f4ca5a00-18
0.531
JAN-GHE-5a013bed-4
0.500
JAN-GHE-5a013bed-5
0.485
JAN-GHE-5a013bed-2
0.480
PET-UNK-8df914d1-5
0.461
ALP-POS-95b75b4d-5
0.449
MAT-POS-bb423b95-4
0.449
PET-UNK-8df914d1-4
0.438
JAN-GHE-5a013bed-3
0.438
JAN-GHE-f4ca5a00-12
0.429
NAU-LAT-e1818702-1
0.429
JAN-GHE-5a013bed-1
0.425
MAT-POS-bfb445d4-2
0.418
ALP-POS-8b8a49e1-7
0.417
JAN-GHE-f4ca5a00-21
0.414
JAN-GHE-5a013bed-8
0.411
ALP-POS-90e38439-2
0.411
MIC-UNK-42806bd5-1
0.411
MAT-POS-500ca5bf-2
0.411
MIC-UNK-fc94cdb5-1
0.405
JAN-GHE-5a013bed-9
0.403
MIC-UNK-d935700b-2
0.402
JAN-GHE-5a013bed-7
0.397
NAU-LAT-e1818702-10
0.397
MIC-UNK-13557a72-1
0.395
EDG-MED-0da5ad92-2
0.392
EDG-MED-0da5ad92-15
0.390
JAN-GHE-5a013bed-10
0.387
MIC-UNK-4c7b8ba7-1
0.385
ABI-SAT-4d06482b-2
0.385
JAN-GHE-5a013bed-6
0.384
NAM-UNK-f7c77a48-3
0.384
SAM-UNK-2684b532-13
0.382
ALP-POS-95b75b4d-8
0.382
JAG-UCB-a3ef7265-17
0.382
NAU-LAT-e1818702-7
0.382
JOH-UNI-abfda500-4
0.380
JOH-UNI-abfda500-5
0.380
ANN-UNI-98d2bf15-3
0.380
EDJ-MED-49816e9b-5
0.377
EDG-MED-0da5ad92-12
0.377
ALP-POS-95b75b4d-6
0.377
EDJ-MED-49816e9b-3
0.377
MAK-UNK-6ca90168-23
0.375
EDJ-MED-a364e151-3
0.373
MIC-UNK-66895286-1
0.373
TRY-UNI-714a760b-6
0.372
PET-UNK-8df914d1-3
0.372
MIC-UNK-b12b7f76-2
0.370
MAT-POS-199e2e7c-1
0.369
MIC-UNK-42806bd5-2
0.368
ALP-POS-8b8a49e1-5
0.368
ALP-POS-90e38439-3
0.368
ALP-POS-8b8a49e1-8
0.367
MIC-UNK-8373f97b-5
0.366
ADA-UCB-6c2cb422-1
0.366
EDJ-MED-a364e151-1
0.365
JAG-UCB-a3ef7265-15
0.364
EDG-MED-0da5ad92-13
0.364
NAM-UNK-f7c77a48-4
0.364
EDG-MED-0da5ad92-16
0.364
EDG-MED-0da5ad92-21
0.364
MAT-POS-0bc33984-1
0.362
TRY-UNI-714a760b-3
0.362
MIC-UNK-50cce87d-2
0.361
MAT-POS-bb423b95-1
0.361
MIC-UNK-8373f97b-4
0.361
MAK-UNK-ffc90da7-5
0.361
MIC-UNK-50cce87d-4
0.360
MAT-POS-f7918075-7
0.360
EDJ-MED-50fe53e8-4
0.357
SAM-UNK-2684b532-14
0.357
JOH-UNI-6fede743-4
0.357
JAN-GHE-5a013bed-11
0.355
MAT-POS-0bc33984-2
0.354
MAT-POS-bb423b95-5
0.354
SAM-UNK-2684b532-12
0.354
SAM-UNK-2684b532-11
0.354
ALP-POS-8b8a49e1-6
0.354
MIC-UNK-50cce87d-1
0.353
EDJ-MED-c8e7a002-16
0.353
EDJ-MED-c8e7a002-17
0.353
NAU-LAT-a5c7d7cb-14
0.353
MAT-POS-f7918075-5
0.353
MAT-POS-bb423b95-2
0.353
MAT-POS-bb423b95-8
0.353
MIC-UNK-50cce87d-3
0.353
SAD-SAT-b55127ae-1
0.351
ALP-POS-3b848b35-3
0.349
ALP-POS-95b75b4d-7
0.349
EDJ-MED-a364e151-2
0.349
EDJ-MED-976da9a6-1
0.348
EDJ-MED-49816e9b-2
0.346
JAN-GHE-83b26c96-15
0.346
EDG-MED-0da5ad92-17
0.346
EDG-MED-0da5ad92-1
0.346
ALP-POS-90e38439-1
0.345
VLA-UCB-1dbca3b4-1
0.345