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DocumentationIdentifier: MM229817
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229817 |
| SMILES |
CC(C)(F)C(O)(C#N)CO
|
| InChIKey |
DKPHIEYIZYRXTG-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
-0.02
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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MM139893
Similarity: 0.7459
Similarity to MM139893
| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8544 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM131033
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| Tanimoto metric | 0.6685 |
|---|---|
| Cosine metric | 0.8176 |
| Dice metric | 0.8013 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM229765
Similarity: 0.5657
Similarity to MM229765
| Tanimoto metric | 0.5657 |
|---|---|
| Cosine metric | 0.733 |
| Dice metric | 0.7226 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
