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DocumentationIdentifier: MM369271
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369271 |
| SMILES |
CCC#CC#CC(=O)CC
|
| InChIKey |
HVTNUEVFHHMUTB-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369340
Similarity: 0.971
Similarity to MM369340
| Tanimoto metric | 0.971 |
|---|---|
| Cosine metric | 0.9854 |
| Dice metric | 0.9853 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM170875
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| Tanimoto metric | 0.9701 |
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| Cosine metric | 0.985 |
| Dice metric | 0.9848 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM369380
Similarity: 0.8667
Similarity to MM369380
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9294 |
| Dice metric | 0.9286 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+354 more
