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DocumentationIdentifier: MM376996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376996 |
| SMILES |
C#CCC(=CF)OC=CC
|
| InChIKey |
IQEWNKVYZRYKGQ-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200360
Similarity: 0.785
Similarity to MM200360
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.886 |
| Dice metric | 0.8796 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419936
Similarity: 0.7563
Similarity to MM419936
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.8612 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376998
Similarity: 0.7355
Similarity to MM376998
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8476 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
