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DocumentationIdentifier: MM231195
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231195 |
| SMILES |
CC(C)(C)C(N)CCCO
|
| InChIKey |
PFXCTNBCUUZGJJ-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.13
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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MM85884
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| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7532 |
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| Cosine metric | 0.8679 |
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| MW: | 129.25 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
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|---|---|---|---|---|---|
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Total active interactions
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MM361738
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| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8078 |
| Dice metric | 0.8077 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
