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DocumentationIdentifier: MM317931
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317931 |
| SMILES |
C=CC(C)CCC(=C)C=O
|
| InChIKey |
IQBMISZPWWOZMO-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144713
Similarity: 0.7778
Similarity to MM144713
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349739
Similarity: 0.7426
Similarity to MM349739
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8523 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316982
Similarity: 0.7283
Similarity to MM316982
| Tanimoto metric | 0.7283 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8428 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
