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DocumentationIdentifier: MM206200
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM206200 |
| SMILES |
CC(CO)NC(C#N)CO
|
| InChIKey |
OHMMUJVMPFUUKD-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-1.16
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 | 0.9211 |
|---|---|
| Cosine metric | 0.9597 |
| Dice metric | 0.9589 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.63 |
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Total active interactions
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MM207269
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| Tanimoto metric | 0.9079 |
|---|---|
| Cosine metric | 0.9528 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+492 more
