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DocumentationIdentifier: MM262013
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262013 |
| SMILES |
CCC(=O)CC(C)CC=O
|
| InChIKey |
VESBQJDNSPRIFQ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57433
Similarity: 0.8429
Similarity to MM57433
| Tanimoto metric | 0.8429 |
|---|---|
| Cosine metric | 0.9161 |
| Dice metric | 0.9147 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM141921
Similarity: 0.8382
Similarity to MM141921
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.912 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262403
Similarity: 0.7917
Similarity to MM262403
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.885 |
| Dice metric | 0.8837 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
