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DocumentationIdentifier: MM310136
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM310136 |
| SMILES |
CC=C(C=CCCO)CO
|
| InChIKey |
CQIUGLAXCLZQBC-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200899
Similarity: 0.9
Similarity to MM200899
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325803
Similarity: 0.8085
Similarity to MM325803
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8941 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM428869
Similarity: 0.7912
Similarity to MM428869
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8834 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+648 more
