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DocumentationIdentifier: MM377038
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377038 |
| SMILES |
CC#CCC(=CC)NC=N
|
| InChIKey |
ABDOMTJDPOYJPI-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.5
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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| Tanimoto metric | 0.8291 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 0.72 |
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MM376986
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Similarity to MM376986
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8291 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
+206 more
