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DocumentationIdentifier: MM315652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM315652 |
| SMILES |
CC(C#N)OCC(F)CO
|
| InChIKey |
SKSAFMPANGHOFP-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
MM02591
Similarity: 0.77
Similarity to MM02591
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8701 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48479
Similarity: 0.7283
Similarity to MM48479
| Tanimoto metric | 0.7283 |
|---|---|
| Cosine metric | 0.8534 |
| Dice metric | 0.8428 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224740
Similarity: 0.6964
Similarity to MM224740
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8211 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+436 more
