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DocumentationIdentifier: MM229480
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229480 |
| SMILES |
C=C(C)CC(C)(C#N)C#N
|
| InChIKey |
HZRGPXOPAXWYJI-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.01
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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| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM150116
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| Tanimoto metric | 0.7674 |
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| Cosine metric | 0.876 |
| Dice metric | 0.8684 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227062
Similarity: 0.7184
Similarity to MM227062
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8365 |
| Dice metric | 0.8362 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
