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DocumentationIdentifier: MM313043
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313043 |
| SMILES |
C#CCC1CC(F)=C(F)C1
|
| InChIKey |
VRTQPAXJDFYUGD-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM187837
Similarity: 0.8182
Similarity to MM187837
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313032
Similarity: 0.7515
Similarity to MM313032
| Tanimoto metric | 0.7515 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8581 |
| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313034
Similarity: 0.6961
Similarity to MM313034
| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8209 |
| Dice metric | 0.8208 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
