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DocumentationIdentifier: MM170625
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170625 |
| SMILES |
CNC(=N)C#CCCN
|
| InChIKey |
SPFHTCRAZNYLOS-UHFFFAOYSA-N
|
| MW [Da] |
125.18
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88699
Similarity: 0.9375
Similarity to MM88699
| Tanimoto metric | 0.9375 |
|---|---|
| Cosine metric | 0.9682 |
| Dice metric | 0.9677 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260365
Similarity: 0.8523
Similarity to MM260365
| Tanimoto metric | 0.8523 |
|---|---|
| Cosine metric | 0.9232 |
| Dice metric | 0.9202 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88356
Similarity: 0.84
Similarity to MM88356
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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