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DocumentationIdentifier: MM406401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406401 |
| SMILES |
C=CC=CCC(C=C)CC
|
| InChIKey |
IPAZFJDPWSCSQY-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199488
Similarity: 0.8235
Similarity to MM199488
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388228
Similarity: 0.8056
Similarity to MM388228
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8923 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406102
Similarity: 0.8056
Similarity to MM406102
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8923 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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