Identifier: MM43722
2D Structure
3D Structure
Source:
General | |
Identifier | MM43722 |
SMILES |
CC(=O)CCC(C)C#N
|
InChIKey |
COZBYSHEFHIFTC-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 |
Similar entries
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Similarity to 2-(3-oxobutyl)propanedinitrile
Tanimoto metric | 0.8904 |
---|---|
Cosine metric | 0.9436 |
Dice metric | 0.942 |
MW: | 136.15 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.02 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM317395
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Tanimoto metric | 0.8442 |
---|---|
Cosine metric | 0.9188 |
Dice metric | 0.9155 |
MW: | 139.2 |
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---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.91 |
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AI: | 0
Total active interactions
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MM228117
Similarity: 0.8025
Similarity to MM228117
Tanimoto metric | 0.8025 |
---|---|
Cosine metric | 0.8958 |
Dice metric | 0.8904 |
MW: | 139.2 |
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PI: | 3
Total passive interactions
|
LogP: | 1.91 |
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---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+224 more