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DocumentationIdentifier: MM269613
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269613 |
| SMILES |
C=CC(=C)C(=C)CC(C)C
|
| InChIKey |
AWQJGDBDDLLOPV-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
MM133956
Similarity: 0.8
Similarity to MM133956
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173791
Similarity: 0.75
Similarity to MM173791
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254219
Similarity: 0.7255
Similarity to MM254219
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8409 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+436 more
