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DocumentationIdentifier: MM26495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26495 |
| SMILES |
C=C(C#N)CCC
|
| InChIKey |
YSGPDJCRZNUFBU-UHFFFAOYSA-N
|
| MW [Da] |
95.15
Automatically obtained from RDkit software. |
| LogP |
1.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113353
Similarity: 0.8333
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 106.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113352
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| Tanimoto metric | 0.8163 |
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| Cosine metric | 0.9035 |
| Dice metric | 0.8989 |
| MW: | 107.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
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| AI: | 0
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MM113303
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| Tanimoto metric | 0.8163 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.8989 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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