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DocumentationIdentifier: MM335070
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM335070 |
| SMILES |
C#CC(=NC)NC(C)=CC
|
| InChIKey |
IDNSZQYMKGCKIO-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM150591
Similarity: 0.766
Similarity to MM150591
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7305 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8443 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM143245
Similarity: 0.7163
Similarity to MM143245
| Tanimoto metric | 0.7163 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8347 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
