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DocumentationIdentifier: MM299754
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299754 |
| SMILES |
C=C(C(C)=O)C(C)C=CC
|
| InChIKey |
IBPNWGJBBKNLHV-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
MM161043
Similarity: 0.7597
Similarity to MM161043
| Tanimoto metric | 0.7597 |
|---|---|
| Cosine metric | 0.8716 |
| Dice metric | 0.8634 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298870
Similarity: 0.705
Similarity to MM298870
| Tanimoto metric | 0.705 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.827 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174279
Similarity: 0.6589
Similarity to MM174279
| Tanimoto metric | 0.6589 |
|---|---|
| Cosine metric | 0.8117 |
| Dice metric | 0.7944 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
