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DocumentationIdentifier: MM246101
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246101 |
| SMILES |
C=CC(C)CC(=O)C(C)C
|
| InChIKey |
PRPHUQPTUCGIPR-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.42
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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MM142205
Similarity: 0.8571
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| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262802
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| Cosine metric | 0.8971 |
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| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
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|---|---|---|---|---|---|
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Total active interactions
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MM330184
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Similarity to MM330184
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8675 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+548 more
