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DocumentationIdentifier: MM319649
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319649 |
| SMILES |
CCC(C)(CC)C(C)C#N
|
| InChIKey |
VRTZLITWKNRBNW-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
2.97
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137527
Similarity: 0.8788
Similarity to MM137527
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9355 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132607
Similarity: 0.6857
Similarity to MM132607
| Tanimoto metric | 0.6857 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8136 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319928
Similarity: 0.6744
Similarity to MM319928
| Tanimoto metric | 0.6744 |
|---|---|
| Cosine metric | 0.8084 |
| Dice metric | 0.8056 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+346 more
