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DocumentationIdentifier: MM305330
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305330 |
| SMILES |
CCCC(OC=O)C(C)=O
|
| InChIKey |
OKGFMPDJWVDETF-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172575
Similarity: 0.7008
Similarity to MM172575
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8241 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377643
Similarity: 0.6316
Similarity to MM377643
| Tanimoto metric | 0.6316 |
|---|---|
| Cosine metric | 0.7746 |
| Dice metric | 0.7742 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305464
Similarity: 0.6144
Similarity to MM305464
| Tanimoto metric | 0.6144 |
|---|---|
| Cosine metric | 0.7614 |
| Dice metric | 0.7611 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+30 more
