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DocumentationIdentifier: MM378940
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378940 |
| SMILES |
C#CC(OC=O)C(=C)CF
|
| InChIKey |
DEXFLNIFOAKLBZ-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172573
Similarity: 0.6883
Similarity to MM172573
| Tanimoto metric | 0.6883 |
|---|---|
| Cosine metric | 0.8296 |
| Dice metric | 0.8154 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94934
Similarity: 0.6203
Similarity to MM94934
| Tanimoto metric | 0.6203 |
|---|---|
| Cosine metric | 0.7658 |
| Dice metric | 0.7657 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378938
Similarity: 0.5907
Similarity to MM378938
| Tanimoto metric | 0.5907 |
|---|---|
| Cosine metric | 0.7427 |
| Dice metric | 0.7427 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+27 more
