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DocumentationIdentifier: MM138119
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138119 |
| SMILES |
COCCC(C)(C)CN
|
| InChIKey |
IGWSTDYRCFOAGN-UHFFFAOYSA-N
|
| MW [Da] |
131.22
Automatically obtained from RDkit software. |
| LogP |
1.01
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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MM239250
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| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8421 |
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| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 146.23 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM239421
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| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9058 |
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| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+446 more
