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DocumentationIdentifier: MM113060
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113060 |
| SMILES |
NCCNC(=O)CO
|
| InChIKey |
IHQDUEDKOPTHNY-UHFFFAOYSA-N
|
| MW [Da] |
118.14
Automatically obtained from RDkit software. |
| LogP |
-1.95
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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MM166455
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Similarity to MM166455
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.89 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM156154
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| Tanimoto metric | 0.7468 |
|---|---|
| Cosine metric | 0.8642 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
