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DocumentationIdentifier: MM223567
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223567 |
| SMILES |
CC(=O)C=C(C)C=C(C)C
|
| InChIKey |
ZTPXOKCITRROGN-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
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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MM136556
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| Tanimoto metric | 0.8706 |
|---|---|
| Cosine metric | 0.9331 |
| Dice metric | 0.9308 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM238571
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| Tanimoto metric | 0.7957 |
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| Cosine metric | 0.8864 |
| Dice metric | 0.8862 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM238546
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Similarity to MM238546
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.8862 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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