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DocumentationIdentifier: MM369714
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369714 |
| SMILES |
C=CC#CC#CC(F)=CC
|
| InChIKey |
BIUQHTYWSCOERZ-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369684
Similarity: 0.96
Similarity to MM369684
| Tanimoto metric | 0.96 |
|---|---|
| Cosine metric | 0.9796 |
| Dice metric | 0.9796 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170952
Similarity: 0.9589
Similarity to MM170952
| Tanimoto metric | 0.9589 |
|---|---|
| Cosine metric | 0.9792 |
| Dice metric | 0.979 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369735
Similarity: 0.8642
Similarity to MM369735
| Tanimoto metric | 0.8642 |
|---|---|
| Cosine metric | 0.9277 |
| Dice metric | 0.9272 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+548 more
