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DocumentationIdentifier: MM36710
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM36710 |
| SMILES |
CC#CCNCC(O)C#N
|
| InChIKey |
KMPIQRYUBYINIA-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.52
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: 0.8652
Similarity to MM145653
| Tanimoto metric | 0.8652 |
|---|---|
| Cosine metric | 0.9301 |
| Dice metric | 0.9277 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145724
Similarity: 0.6754
Similarity to MM145724
| Tanimoto metric | 0.6754 |
|---|---|
| Cosine metric | 0.8082 |
| Dice metric | 0.8063 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403660
Similarity: 0.6638
Similarity to MM403660
| Tanimoto metric | 0.6638 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.7979 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
