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DocumentationIdentifier: MM245351
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245351 |
| SMILES |
C=CC(C)CC(C)C(C)=O
|
| InChIKey |
YPRNPQSXRKIGLK-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM326962
Similarity: 0.7935
Similarity to MM326962
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8868 |
| Dice metric | 0.8848 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144406
Similarity: 0.7273
Similarity to MM144406
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326958
Similarity: 0.7188
Similarity to MM326958
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8382 |
| Dice metric | 0.8364 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
