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DocumentationIdentifier: MM376986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376986 |
| SMILES |
C#CCC(=CC)NC=NC
|
| InChIKey |
JNEBRWWYLMKNOS-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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| 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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| MW: | 132.17 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.72 |
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MM377038
Similarity: 0.708
Similarity to MM377038
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8291 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
