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DocumentationIdentifier: MM218074
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM218074 |
| SMILES |
CNCCCCC1CN1
|
| InChIKey |
KFVPGPKPYCHVSX-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126991
Similarity: 0.9661
Similarity to MM126991
| Tanimoto metric | 0.9661 |
|---|---|
| Cosine metric | 0.9829 |
| Dice metric | 0.9828 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM193792
Similarity: 0.9077
Similarity to MM193792
| Tanimoto metric | 0.9077 |
|---|---|
| Cosine metric | 0.9527 |
| Dice metric | 0.9516 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM218073
Similarity: 0.8154
Similarity to MM218073
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8983 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+620 more
