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DocumentationIdentifier: MM74547
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74547 |
| SMILES |
C=C(C(C)=O)C(C)CC=O
|
| InChIKey |
HVURQKOATUOIGX-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160957
Similarity: 0.8103
Similarity to MM160957
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.9002 |
| Dice metric | 0.8952 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351769
Similarity: 0.7015
Similarity to MM351769
| Tanimoto metric | 0.7015 |
|---|---|
| Cosine metric | 0.8247 |
| Dice metric | 0.8246 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM62425
Similarity: 0.6818
Similarity to MM62425
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.8108 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
