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DocumentationIdentifier: MM376641
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376641 |
| SMILES |
C#CCC(=CF)COC=C
|
| InChIKey |
FIOVLWCLKOEAAC-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376611
Similarity: 0.752
Similarity to MM376611
| Tanimoto metric | 0.752 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8584 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM415915
Similarity: 0.7016
Similarity to MM415915
| Tanimoto metric | 0.7016 |
|---|---|
| Cosine metric | 0.8258 |
| Dice metric | 0.8246 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM278957
Similarity: 0.6967
Similarity to MM278957
| Tanimoto metric | 0.6967 |
|---|---|
| Cosine metric | 0.8234 |
| Dice metric | 0.8213 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
