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DocumentationIdentifier: MM104878
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104878 |
| SMILES |
C=CC(=O)C=C(C)C
|
| InChIKey |
DNSNCSDSZVRBSO-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
1.71
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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| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 98.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM26697
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| Tanimoto metric | 0.72 |
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| Cosine metric | 0.8485 |
| Dice metric | 0.8372 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM136304
Similarity: 0.7042
Similarity to MM136304
| Tanimoto metric | 0.7042 |
|---|---|
| Cosine metric | 0.8392 |
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| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
