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DocumentationIdentifier: MM144109
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144109 |
| SMILES |
CC(C)CCC(C)C#N
|
| InChIKey |
BGNGUPQFAFEWPH-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
2.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM315972
Similarity: 0.9545
Similarity to MM315972
| Tanimoto metric | 0.9545 |
|---|---|
| Cosine metric | 0.977 |
| Dice metric | 0.9767 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166063
Similarity: 0.9091
Similarity to MM166063
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9524 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM112767
Similarity: 0.9048
Similarity to MM112767
| Tanimoto metric | 0.9048 |
|---|---|
| Cosine metric | 0.9512 |
| Dice metric | 0.95 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
