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DocumentationIdentifier: MM390584
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390584 |
| SMILES |
C=C(C)C(=CC)C(C)C=O
|
| InChIKey |
VUZQHXIHQKCBRD-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM353586
Similarity: 0.729
Similarity to MM353586
| Tanimoto metric | 0.729 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8433 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161041
Similarity: 0.7111
Similarity to MM161041
| Tanimoto metric | 0.7111 |
|---|---|
| Cosine metric | 0.8433 |
| Dice metric | 0.8312 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298866
Similarity: 0.6554
Similarity to MM298866
| Tanimoto metric | 0.6554 |
|---|---|
| Cosine metric | 0.796 |
| Dice metric | 0.7918 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
