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DocumentationIdentifier: MM114262
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114262 |
| SMILES |
C=C(C=CCC)OC
|
| InChIKey |
CABKCBKMGHCAOS-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
2.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8507 |
|---|---|
| Cosine metric | 0.9224 |
| Dice metric | 0.9194 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.09 |
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MM169831
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| Tanimoto metric | 0.8143 |
|---|---|
| Cosine metric | 0.9024 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
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