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DocumentationIdentifier: MM312585
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312585 |
| SMILES |
C=CC(CC)(CC)CC#N
|
| InChIKey |
GTIMVEPBCZMWAI-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139388
Similarity: 0.9296
Similarity to MM139388
| Tanimoto metric | 0.9296 |
|---|---|
| Cosine metric | 0.9641 |
| Dice metric | 0.9635 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312821
Similarity: 0.7952
Similarity to MM312821
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8859 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243891
Similarity: 0.7889
Similarity to MM243891
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+493 more
