Identifier: MM36193
2D Structure
3D Structure
Source:
General | |
Identifier | MM36193 |
SMILES |
CC(C#N)CCC=O
|
InChIKey |
WGEDMSFSONCGSF-UHFFFAOYSA-N
|
MW [Da] |
111.14
Automatically obtained from RDkit software. |
LogP |
1.13
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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Similarity to 2-(3-oxopropyl)propanedinitrile
Tanimoto metric | 0.8519 |
---|---|
Cosine metric | 0.923 |
Dice metric | 0.92 |
MW: | 122.13 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.63 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM138400
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Similarity to MM138400
Tanimoto metric | 0.7667 |
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Cosine metric | 0.8756 |
Dice metric | 0.8679 |
MW: | 125.17 |
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---|---|---|---|---|---|
PI: | 3
Total passive interactions
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LogP: | 1.52 |
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AI: | 0
Total active interactions
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MM198919
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Similarity to MM198919
Tanimoto metric | 0.7667 |
---|---|
Cosine metric | 0.8756 |
Dice metric | 0.8679 |
MW: | 125.17 |
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PI: | 3
Total passive interactions
|
LogP: | 1.52 |
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---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+349 more