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DocumentationIdentifier: MM316542
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316542 |
| SMILES |
CCC(O)CNC(=O)CF
|
| InChIKey |
VGRXYPRTNKTNFD-UHFFFAOYSA-N
|
| MW [Da] |
149.17
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144291
Similarity: 0.7607
Similarity to MM144291
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8641 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316548
Similarity: 0.6763
Similarity to MM316548
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.8069 |
| MW: | 153.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316546
Similarity: 0.6691
Similarity to MM316546
| Tanimoto metric | 0.6691 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.8017 |
| MW: | 151.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
