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DocumentationIdentifier: MM398613
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM398613 |
| SMILES |
C=CC#CC(=O)CC1CC1
|
| InChIKey |
YRCZQGRAFPGVFJ-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM194036
Similarity: 0.8261
Similarity to MM194036
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358678
Similarity: 0.7565
Similarity to MM358678
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8614 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM398635
Similarity: 0.7364
Similarity to MM398635
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8485 |
| Dice metric | 0.8482 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
