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DocumentationIdentifier: MM177924
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177924 |
| SMILES |
C#CCC(CF)CC#C
|
| InChIKey |
JBSMTZRDMYQTQU-UHFFFAOYSA-N
|
| MW [Da] |
124.16
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
MM37509
Similarity: 0.9231
Similarity to MM37509
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388465
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| Tanimoto metric | 0.7647 |
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| Cosine metric | 0.8745 |
| Dice metric | 0.8667 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM199692
Similarity: 0.7273
Similarity to MM199692
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8454 |
| Dice metric | 0.8421 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+514 more
