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DocumentationIdentifier: MM340173
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340173 |
| SMILES |
CC(C)CCC(C#N)C=O
|
| InChIKey |
ROCWRAGSJSPMLG-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM404240
Similarity: 0.8933
Similarity to MM404240
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9437 |
| Dice metric | 0.9437 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404242
Similarity: 0.8933
Similarity to MM404242
| Tanimoto metric | 0.8933 |
|---|---|
| Cosine metric | 0.9437 |
| Dice metric | 0.9437 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-formylpentanenitrile
Similarity: 0.7465
Similarity to 2-formylpentanenitrile
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8548 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
