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DocumentationIdentifier: MM172692
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172692 |
| SMILES |
C=CC(=C)C(N)CCC
|
| InChIKey |
DRCOJRXGDLSSAF-UHFFFAOYSA-N
|
| MW [Da] |
125.22
Automatically obtained from RDkit software. |
| LogP |
1.86
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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MM94098
Similarity: 0.8469
Similarity to MM94098
| Tanimoto metric | 0.8469 |
|---|---|
| Cosine metric | 0.9203 |
| Dice metric | 0.9171 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111840
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Similarity to MM111840
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8849 |
| Dice metric | 0.8784 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM349874
Similarity: 0.7615
Similarity to MM349874
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8646 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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