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DocumentationIdentifier: MM295332
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295332 |
| SMILES |
C=CCC(N)C(=C)C#CC
|
| InChIKey |
FPODJVVLQUKZPB-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.47
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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MM174668
Similarity: 0.8235
Similarity to MM174668
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM172854
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| Tanimoto metric | 0.7983 |
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| Cosine metric | 0.8935 |
| Dice metric | 0.8879 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
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| AI: | 0
Total active interactions
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MM358705
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Similarity to MM358705
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8653 |
| Dice metric | 0.8646 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+390 more
