Identifier: MM201230
2D Structure
3D Structure
Source:
General | |
Identifier | MM201230 |
SMILES |
CCC#CC(C#N)CC
|
InChIKey |
NJLZWYWBIREYLK-UHFFFAOYSA-N
|
MW [Da] |
121.18
Automatically obtained from RDkit software. |
LogP |
1.95
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
MM432217
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Similarity to MM432217
Tanimoto metric | 0.9167 |
---|---|
Cosine metric | 0.9574 |
Dice metric | 0.9565 |
MW: | 132.17 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 1.45 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM344721
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Similarity to MM344721
Tanimoto metric | 0.9167 |
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Cosine metric | 0.9574 |
Dice metric | 0.9565 |
MW: | 135.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.2 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
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MM431936
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Similarity to MM431936
Tanimoto metric | 0.9167 |
---|---|
Cosine metric | 0.9574 |
Dice metric | 0.9565 |
MW: | 135.21 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 2.34 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+547 more