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DocumentationIdentifier: MM378022
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378022 |
| SMILES |
C=C(CC)C(C=O)CCC
|
| InChIKey |
ARRMNAJCGLKJLN-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
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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MM408486
Similarity: 0.8491
Similarity to MM408486
| Tanimoto metric | 0.8491 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.9184 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393244
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| Tanimoto metric | 0.8 |
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| Cosine metric | 0.8889 |
| Dice metric | 0.8889 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275234
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| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8528 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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