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DocumentationIdentifier: MM295657
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295657 |
| SMILES |
COCCCC(O)C(=O)O
|
| InChIKey |
WSPBTYGWPHZXFP-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM254753
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Similarity to MM254753
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.823 |
| Dice metric | 0.8229 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6907 |
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| Cosine metric | 0.8311 |
| Dice metric | 0.8171 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 9
Total passive interactions
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| LogP: | 0.23 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM296778
Similarity: 0.6897
Similarity to MM296778
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8164 |
| Dice metric | 0.8163 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+318 more
