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DocumentationIdentifier: MM386533
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386533 |
| SMILES |
C#CC(=COC=C)CCC
|
| InChIKey |
IHLTUZVZXHPWEE-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201836
Similarity: 0.7732
Similarity to MM201836
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8793 |
| Dice metric | 0.8721 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386535
Similarity: 0.7155
Similarity to MM386535
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8342 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382673
Similarity: 0.7034
Similarity to MM382673
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8259 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+508 more
