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DocumentationIdentifier: MM261546
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261546 |
| SMILES |
CCCC(C)NC(C)C#N
|
| InChIKey |
PIFNWCASAAOVOQ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155798
Similarity: 0.7927
Similarity to MM155798
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8844 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272083
Similarity: 0.7917
Similarity to MM272083
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.8837 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326761
Similarity: 0.7556
Similarity to MM326761
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8608 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+575 more
