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DocumentationIdentifier: MM172688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172688 |
| SMILES |
C=C(C#N)C(C)CCF
|
| InChIKey |
UNNHSFMCWYDEGH-UHFFFAOYSA-N
|
| MW [Da] |
127.16
Automatically obtained from RDkit software. |
| LogP |
2.06
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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MM378562
Similarity: 0.7355
Similarity to MM378562
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 138.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM305267
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| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8216 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111830
Similarity: 0.6966
Similarity to MM111830
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8212 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+542 more
