Identifier: MM379924
2D Structure
3D Structure
Source:
General | |
Identifier | MM379924 |
SMILES |
CCC#CC(C#N)CCC
|
InChIKey |
JTQANYIIZFJOKJ-UHFFFAOYSA-N
|
MW [Da] |
135.21
Automatically obtained from RDkit software. |
LogP |
2.34
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 4-propylpent-2-ynedinitrile
Tanimoto metric | 0.8298 |
---|---|
Cosine metric | 0.908 |
Dice metric | 0.907 |
MW: | 132.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.45 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
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MM389396
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Similarity to MM389396
Tanimoto metric | 0.8172 |
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Cosine metric | 0.8998 |
Dice metric | 0.8994 |
MW: | 135.21 |
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---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.34 |
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---|---|---|---|---|---|
AI: | 0
Total active interactions
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Similarity to MM431936
Tanimoto metric | 0.8118 |
---|---|
Cosine metric | 0.898 |
Dice metric | 0.8961 |
MW: | 135.21 |
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PI: | 2
Total passive interactions
|
LogP: | 2.34 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+327 more