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DocumentationIdentifier: MM385777
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM385777 |
| SMILES |
CCC(=COC=O)CC=O
|
| InChIKey |
HDPSXESXXPDEMV-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201636
Similarity: 0.7045
Similarity to MM201636
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8267 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM02441
Similarity: 0.6754
Similarity to MM02441
| Tanimoto metric | 0.6754 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.8063 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386336
Similarity: 0.6435
Similarity to MM386336
| Tanimoto metric | 0.6435 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7831 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+428 more
