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DocumentationIdentifier: MM323604
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323604 |
| SMILES |
CNC(C=O)C(F)C#N
|
| InChIKey |
PJBXMSDXLQTNFJ-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
-0.37
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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MM412847
Similarity: 0.5492
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| Tanimoto metric | 0.5492 |
|---|---|
| Cosine metric | 0.7411 |
| Dice metric | 0.709 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM160040
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| Tanimoto metric | 0.5479 |
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| Cosine metric | 0.7102 |
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| MW: | 130.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM28827
Similarity: 0.5473
Similarity to MM28827
| Tanimoto metric | 0.5473 |
|---|---|
| Cosine metric | 0.7089 |
| Dice metric | 0.7074 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
