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DocumentationIdentifier: MM317480
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317480 |
| SMILES |
CC(C#N)CNC(=O)CO
|
| InChIKey |
FANCOUTXLRNQPE-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.75
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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MM166710
Similarity: 0.767
Similarity to MM166710
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8758 |
| Dice metric | 0.8681 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43788
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Similarity to MM43788
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8427 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM81590
Similarity: 0.7027
Similarity to MM81590
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8254 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+507 more
