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DocumentationIdentifier: MM94136
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94136 |
| SMILES |
CCOC(C#N)C(F)CO
|
| InChIKey |
IVIYTXOSKQJWBT-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
MM53232
Similarity: 0.7887
Similarity to MM53232
| Tanimoto metric | 0.7887 |
|---|---|
| Cosine metric | 0.8881 |
| Dice metric | 0.8819 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376711
Similarity: 0.608
Similarity to MM376711
| Tanimoto metric | 0.608 |
|---|---|
| Cosine metric | 0.7562 |
| Dice metric | 0.7562 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232023
Similarity: 0.6034
Similarity to MM232023
| Tanimoto metric | 0.6034 |
|---|---|
| Cosine metric | 0.7527 |
| Dice metric | 0.7526 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
