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DocumentationIdentifier: MM60579
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60579 |
| SMILES |
CC(F)(CO)COCC#N
|
| InChIKey |
JKXNZSCUETZRRL-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM131568
Similarity: 0.766
Similarity to MM131568
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239320
Similarity: 0.7184
Similarity to MM239320
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8362 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239322
Similarity: 0.7143
Similarity to MM239322
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8342 |
| Dice metric | 0.8333 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
