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DocumentationIdentifier: MM259642
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM259642 |
| SMILES |
CCC(=O)CC#CC(F)F
|
| InChIKey |
GUQVDSZTDZSHPQ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169222
Similarity: 0.8395
Similarity to MM169222
| Tanimoto metric | 0.8395 |
|---|---|
| Cosine metric | 0.9162 |
| Dice metric | 0.9128 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133327
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Similarity to MM133327
| Tanimoto metric | 0.8272 |
|---|---|
| Cosine metric | 0.9095 |
| Dice metric | 0.9054 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM281220
Similarity: 0.7816
Similarity to MM281220
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.8774 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
