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DocumentationIdentifier: MM380193
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380193 |
| SMILES |
C#CC(C#CCO)NC=N
|
| InChIKey |
VEPNVMVUGKDUFE-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158392
Similarity: 0.8229
Similarity to MM158392
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM55134
Similarity: 0.75
Similarity to MM55134
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84572
Similarity: 0.7431
Similarity to MM84572
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.8527 |
| Dice metric | 0.8526 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
