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DocumentationIdentifier: MM396191
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396191 |
| SMILES |
C=CC#CC(C=O)C(C)C
|
| InChIKey |
YCFOPGFASVHILF-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM201267
Similarity: 0.8022
Similarity to MM201267
| Tanimoto metric | 0.8022 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8902 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180252
Similarity: 0.7912
Similarity to MM180252
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8895 |
| Dice metric | 0.8834 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM433264
Similarity: 0.7019
Similarity to MM433264
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8252 |
| Dice metric | 0.8249 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+459 more
