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DocumentationIdentifier: MM372993
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372993 |
| SMILES |
CCCCN1CC1(C)C=O
|
| InChIKey |
FEOCWIBHHQCNKV-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.06
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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| Tanimoto metric | 0.9051 |
|---|---|
| Cosine metric | 0.9513 |
| Dice metric | 0.9502 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM271645
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| Tanimoto metric | 0.8788 |
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| Cosine metric | 0.9357 |
| Dice metric | 0.9355 |
| MW: | 141.21 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.92 |
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Total active interactions
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MM373279
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| Tanimoto metric | 0.8034 |
|---|---|
| Cosine metric | 0.8911 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.84 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+85 more
