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DocumentationIdentifier: MM400713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400713 |
| SMILES |
CNC(C#N)C(C#N)OC
|
| InChIKey |
OJOHZDCQTMKMSD-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.36
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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MM44190
Similarity: 0.7548
Similarity to MM44190
| Tanimoto metric | 0.7548 |
|---|---|
| Cosine metric | 0.8688 |
| Dice metric | 0.8603 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM53246
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| Tanimoto metric | 0.6968 |
|---|---|
| Cosine metric | 0.8347 |
| Dice metric | 0.8213 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM406769
Similarity: 0.6519
Similarity to MM406769
| Tanimoto metric | 0.6519 |
|---|---|
| Cosine metric | 0.7898 |
| Dice metric | 0.7893 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
