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DocumentationIdentifier: MM377175
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377175 |
| SMILES |
C#CC(CCC)C(F)C#N
|
| InChIKey |
XUCLIXDJHXUIQN-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388334
Similarity: 0.6735
Similarity to MM388334
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.805 |
| Dice metric | 0.8049 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172059
Similarity: 0.6694
Similarity to MM172059
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.802 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327561
Similarity: 0.5944
Similarity to MM327561
| Tanimoto metric | 0.5944 |
|---|---|
| Cosine metric | 0.747 |
| Dice metric | 0.7456 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
