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DocumentationIdentifier: MM172301
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172301 |
| SMILES |
C#CCC(C)C(F)C#C
|
| InChIKey |
LOHIYNDKZXLAPC-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
MM111604
Similarity: 0.8133
Similarity to MM111604
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108136
Similarity: 0.7733
Similarity to MM108136
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8794 |
| Dice metric | 0.8722 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196914
Similarity: 0.6915
Similarity to MM196914
| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8176 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
