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
NAU-LAT-e1818702-1
0.429
JAN-GHE-f4ca5a00-12
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
PET-UNK-f92d7c0c-5
0.411
MAT-POS-500ca5bf-2
0.411
PET-UNK-f92d7c0c-4
0.411
ALP-POS-90e38439-2
0.411
MIC-UNK-42806bd5-1
0.411
MIC-UNK-fc94cdb5-1
0.405
JAN-GHE-5a013bed-9
0.403
MIC-UNK-d935700b-2
0.402
RUB-POS-1325a9ea-8
0.398
NAU-LAT-e1818702-10
0.397
JAN-GHE-5a013bed-7
0.397
EDJ-MED-239d8ca5-1
0.395
BEN-DND-1e24cf73-1
0.395
PET-UNK-f92d7c0c-1
0.395
MIC-UNK-13557a72-1
0.395
PET-UNK-f92d7c0c-6
0.395
EDG-MED-0da5ad92-2
0.392
PET-UNK-e274cad4-6
0.390
EDG-MED-0da5ad92-15
0.390
JAN-GHE-5a013bed-10
0.387
EDJ-MED-076d6e64-1
0.386
ABI-SAT-4d06482b-2
0.385
MIC-UNK-4c7b8ba7-1
0.385
JAN-GHE-5a013bed-6
0.384
NAM-UNK-f7c77a48-3
0.384
EDJ-MED-239d8ca5-2
0.382
JAG-UCB-a3ef7265-17
0.382
NAU-LAT-e1818702-7
0.382
VLA-UNK-411a133b-1
0.382
ALP-POS-95b75b4d-8
0.382
SAM-UNK-2684b532-13
0.382
JOH-UNI-abfda500-5
0.380
ANN-UNI-98d2bf15-3
0.380
JOH-UNI-abfda500-4
0.380
JIN-POS-6dc588a4-9
0.378
MIC-UNK-51049f1a-6
0.378
EDG-MED-0da5ad92-12
0.377
EDJ-MED-49816e9b-3
0.377
EDJ-MED-49816e9b-5
0.377
ALP-POS-95b75b4d-6
0.377
MAK-UNK-6ca90168-23
0.375
EDJ-MED-a364e151-3
0.373
PET-UNK-b1ef24dc-2
0.373
MIC-UNK-66895286-1
0.373
PET-UNK-158bee2a-4
0.373
BEN-DND-1e24cf73-2
0.372
BEN-DND-1e24cf73-5
0.372
TRY-UNI-714a760b-6
0.372
PET-UNK-8df914d1-3
0.372
BEN-DND-1e24cf73-4
0.371
MIC-UNK-b12b7f76-2
0.370
MAT-POS-90fd5f68-8
0.370
EDJ-MED-6e43a462-6
0.369
JIN-POS-6dc588a4-24
0.369
MAT-POS-199e2e7c-1
0.369
ALP-POS-90e38439-3
0.368
VLA-UNK-411a133b-2
0.368
MIC-UNK-42806bd5-2
0.368
ALP-POS-8b8a49e1-5
0.368
MAT-POS-90fd5f68-1
0.368
ALP-POS-8b8a49e1-8
0.367
MAT-POS-90fd5f68-35
0.367
MIC-UNK-8373f97b-5
0.366
ADA-UCB-6c2cb422-1
0.366
MAT-POS-90fd5f68-26
0.366
PET-UNK-158bee2a-2
0.365
EDJ-MED-a364e151-1
0.365
RUB-POS-1325a9ea-15
0.365
JAG-UCB-a3ef7265-15
0.364
EDG-MED-0da5ad92-13
0.364
MAT-POS-c20a539d-4
0.364
EDG-MED-0da5ad92-16
0.364
NAM-UNK-f7c77a48-4
0.364
EDG-MED-0da5ad92-21
0.364
PET-UNK-158bee2a-3
0.364
MAT-POS-8feb6e35-1
0.364
MAT-POS-0bc33984-1
0.362
TRY-UNI-714a760b-3
0.362
EDJ-MED-6ab52e52-1
0.361
VLA-UNK-dc1d9354-1
0.361
MAT-POS-bb423b95-1
0.361
MIC-UNK-8373f97b-4
0.361