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DocumentationIdentifier: MM376643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376643 |
| SMILES |
C#CCC(=CF)COC=O
|
| InChIKey |
HAQWKZVSKMLNPG-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156662
Similarity: 0.7217
Similarity to MM156662
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8384 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376611
Similarity: 0.6894
Similarity to MM376611
| Tanimoto metric | 0.6894 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8161 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376641
Similarity: 0.6741
Similarity to MM376641
| Tanimoto metric | 0.6741 |
|---|---|
| Cosine metric | 0.8054 |
| Dice metric | 0.8053 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
