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DocumentationIdentifier: MM246469
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246469 |
| SMILES |
C=C(C=O)CC(=C)C(C)C
|
| InChIKey |
UPGPZOANVUXQAQ-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
MM142676
Similarity: 0.7579
Similarity to MM142676
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8623 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263664
Similarity: 0.6729
Similarity to MM263664
| Tanimoto metric | 0.6729 |
|---|---|
| Cosine metric | 0.806 |
| Dice metric | 0.8045 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350463
Similarity: 0.6719
Similarity to MM350463
| Tanimoto metric | 0.6719 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.8037 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
