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DocumentationIdentifier: MM246366
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246366 |
| SMILES |
C=C(OC(=O)CC)C(C)C
|
| InChIKey |
UYINGUCGWNFUDE-UHFFFAOYSA-N
|
| MW [Da] |
142.2
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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MM133914
Similarity: 0.8261
Similarity to MM133914
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7913 |
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| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
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| AI: | 0
Total active interactions
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MM246516
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Similarity to MM246516
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.825 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+376 more
