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DocumentationIdentifier: MM145919
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145919 |
| SMILES |
CC(N)C#CC(F)CO
|
| InChIKey |
XYSDRIFSXVLCOB-UHFFFAOYSA-N
|
| MW [Da] |
131.15
Automatically obtained from RDkit software. |
| LogP |
-0.33
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: 0.8431
Similarity to MM322774
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8842 |
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| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM114470
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| Tanimoto metric | 0.7326 |
|---|---|
| Cosine metric | 0.8559 |
| Dice metric | 0.8456 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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