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DocumentationIdentifier: MM317334
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317334 |
| SMILES |
C#CC(=O)OCC(F)CN
|
| InChIKey |
LBPUCWLPADWUGE-UHFFFAOYSA-N
|
| MW [Da] |
145.13
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144791
Similarity: 0.7603
Similarity to MM144791
| Tanimoto metric | 0.7603 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8638 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144344
Similarity: 0.7521
Similarity to MM144344
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8672 |
| Dice metric | 0.8585 |
| MW: | 135.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317336
Similarity: 0.6619
Similarity to MM317336
| Tanimoto metric | 0.6619 |
|---|---|
| Cosine metric | 0.7974 |
| Dice metric | 0.7965 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
