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DocumentationIdentifier: MM294974
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294974 |
| SMILES |
CCCCC=C(C)C(C)=O
|
| InChIKey |
VWBDPSCXFCRKQY-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163863
Similarity: 0.8851
Similarity to MM163863
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360543
Similarity: 0.802
Similarity to MM360543
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8901 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295121
Similarity: 0.7938
Similarity to MM295121
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8851 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+823 more
