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DocumentationIdentifier: MM309488
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309488 |
| SMILES |
C=CCNC(C)(C#N)C=C
|
| InChIKey |
AXKMZQWHBKQTLS-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.23
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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MM139541
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| Tanimoto metric | 0.8922 |
|---|---|
| Cosine metric | 0.9445 |
| Dice metric | 0.943 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM309493
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| Tanimoto metric | 0.8636 |
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| Cosine metric | 0.9268 |
| Dice metric | 0.9268 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM229171
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Similarity to MM229171
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9118 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+243 more
