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DocumentationIdentifier: MM311807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM311807 |
| SMILES |
CCC#CC(C)(C#N)CC
|
| InChIKey |
FGDZDDJUSOERAT-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139776
Similarity: 0.8764
Similarity to MM139776
| Tanimoto metric | 0.8764 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9341 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77800
Similarity: 0.802
Similarity to MM77800
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8901 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243457
Similarity: 0.757
Similarity to MM243457
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8617 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+486 more
