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DocumentationIdentifier: MM47159
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47159 |
| SMILES |
C#CCN(C)CC(O)C#N
|
| InChIKey |
OTUCCLUOUOIOMZ-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145653
Similarity: 0.713
Similarity to MM145653
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8324 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261714
Similarity: 0.6694
Similarity to MM261714
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8027 |
| Dice metric | 0.8019 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36710
Similarity: 0.6417
Similarity to MM36710
| Tanimoto metric | 0.6417 |
|---|---|
| Cosine metric | 0.7854 |
| Dice metric | 0.7817 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
