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DocumentationIdentifier: MM95939
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM95939 |
| SMILES |
CNC(=N)C#CCN
|
| InChIKey |
JPZLCEIYZMCSET-UHFFFAOYSA-N
|
| MW [Da] |
111.15
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170638
Similarity: 0.9194
Similarity to MM170638
| Tanimoto metric | 0.9194 |
|---|---|
| Cosine metric | 0.9588 |
| Dice metric | 0.958 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88906
Similarity: 0.8421
Similarity to MM88906
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146171
Similarity: 0.8261
Similarity to MM146171
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 124.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+468 more
