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DocumentationIdentifier: MM372704
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372704 |
| SMILES |
CCOC=CCC(C)C=O
|
| InChIKey |
MQOFYCMCRATNDS-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214915
Similarity: 0.76
Similarity to MM214915
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372863
Similarity: 0.7529
Similarity to MM372863
| Tanimoto metric | 0.7529 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8591 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240490
Similarity: 0.7471
Similarity to MM240490
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8553 |
| Dice metric | 0.8553 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+752 more
