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DocumentationIdentifier: MM94045
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94045 |
| SMILES |
CCC(NC=O)C(F)C=O
|
| InChIKey |
JTSWFHWZYVDUCZ-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305121
Similarity: 0.8276
Similarity to MM305121
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9062 |
| Dice metric | 0.9057 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295583
Similarity: 0.5879
Similarity to MM295583
| Tanimoto metric | 0.5879 |
|---|---|
| Cosine metric | 0.7412 |
| Dice metric | 0.7405 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305022
Similarity: 0.5864
Similarity to MM305022
| Tanimoto metric | 0.5864 |
|---|---|
| Cosine metric | 0.7409 |
| Dice metric | 0.7393 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
