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DocumentationIdentifier: MM228594
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228594 |
| SMILES |
C=C(F)C#CC(C)(C)CC
|
| InChIKey |
MWPSVOJRPOXHHV-UHFFFAOYSA-N
|
| MW [Da] |
140.2
Automatically obtained from RDkit software. |
| LogP |
2.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145984
Similarity: 0.8242
Similarity to MM145984
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM344935
Similarity: 0.7576
Similarity to MM344935
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8621 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130526
Similarity: 0.7143
Similarity to MM130526
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
