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DocumentationIdentifier: MM372819
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372819 |
| SMILES |
C=CCC=CCC(C)C=C
|
| InChIKey |
IXTPOZLRBCSSJL-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
MM168245
Similarity: 0.92
Similarity to MM168245
| Tanimoto metric | 0.92 |
|---|---|
| Cosine metric | 0.9592 |
| Dice metric | 0.9583 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372637
Similarity: 0.8846
Similarity to MM372637
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.939 |
| Dice metric | 0.9388 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406929
Similarity: 0.8571
Similarity to MM406929
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9238 |
| Dice metric | 0.9231 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+750 more
