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DocumentationIdentifier: MM295694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295694 |
| SMILES |
C=C(C=CF)C(=O)C=CN
|
| InChIKey |
CSVMEMYHWSUHFI-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174518
Similarity: 0.7724
Similarity to MM174518
| Tanimoto metric | 0.7724 |
|---|---|
| Cosine metric | 0.8788 |
| Dice metric | 0.8716 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174520
Similarity: 0.748
Similarity to MM174520
| Tanimoto metric | 0.748 |
|---|---|
| Cosine metric | 0.8649 |
| Dice metric | 0.8558 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295696
Similarity: 0.6985
Similarity to MM295696
| Tanimoto metric | 0.6985 |
|---|---|
| Cosine metric | 0.8243 |
| Dice metric | 0.8225 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
