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DocumentationIdentifier: MM420199
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420199 |
| SMILES |
CC1CC1OC=CCC#N
|
| InChIKey |
MBKDYEZODYFHOJ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.84
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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MM420079
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| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9036 |
| Dice metric | 0.9029 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124845
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| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM195570
Similarity: 0.7949
Similarity to MM195570
| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8859 |
| Dice metric | 0.8857 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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