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DocumentationIdentifier: MM174517
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174517 |
| SMILES |
C=CC(=O)C(=C)C=CC
|
| InChIKey |
WKKRYGJFGINQCM-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.87
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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MM357129
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| Tanimoto metric | 0.7759 |
|---|---|
| Cosine metric | 0.8808 |
| Dice metric | 0.8738 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108711
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| Tanimoto metric | 0.7556 |
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| Cosine metric | 0.8692 |
| Dice metric | 0.8608 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM357101
Similarity: 0.7545
Similarity to MM357101
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8601 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+233 more
