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DocumentationIdentifier: MM198919
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198919 |
| SMILES |
CCC(C#N)CCC=O
|
| InChIKey |
WTGINLVUXQGYSA-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.52
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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MM386875
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Similarity to MM386875
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8108 |
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| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM326966
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| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
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| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
