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DocumentationIdentifier: MM283922
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM283922 |
| SMILES |
CCC=C(C)OC=CC#N
|
| InChIKey |
VXQNEMZRNWKGNX-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
2.35
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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MM169001
Similarity: 0.7976
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| Tanimoto metric | 0.7976 |
|---|---|
| Cosine metric | 0.8931 |
| Dice metric | 0.8874 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159075
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| Tanimoto metric | 0.7976 |
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| Cosine metric | 0.8931 |
| Dice metric | 0.8874 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM283880
Similarity: 0.7614
Similarity to MM283880
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.8645 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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