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DocumentationIdentifier: MM340242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340242 |
| SMILES |
C=CC(C=C)CCN(C)C
|
| InChIKey |
OCDNNGNTHZBMFG-UHFFFAOYSA-N
|
| MW [Da] |
139.24
Automatically obtained from RDkit software. |
| LogP |
1.93
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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MM144156
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| Tanimoto metric | 0.8955 |
|---|---|
| Cosine metric | 0.9463 |
| Dice metric | 0.9449 |
| MW: | 127.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM87943
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| Tanimoto metric | 0.8358 |
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| Cosine metric | 0.9142 |
| Dice metric | 0.9106 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227893
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Similarity to MM227893
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8511 |
| MW: | 141.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+554 more
