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DocumentationIdentifier: MM240695
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240695 |
| SMILES |
CCC#CCC(C)(F)CC
|
| InChIKey |
CLZXSXWKAVHWNR-UHFFFAOYSA-N
|
| MW [Da] |
142.22
Automatically obtained from RDkit software. |
| LogP |
2.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138679
Similarity: 0.9136
Similarity to MM138679
| Tanimoto metric | 0.9136 |
|---|---|
| Cosine metric | 0.9558 |
| Dice metric | 0.9548 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240698
Similarity: 0.8172
Similarity to MM240698
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.9002 |
| Dice metric | 0.8994 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240764
Similarity: 0.7629
Similarity to MM240764
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8667 |
| Dice metric | 0.8655 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+494 more
