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DocumentationIdentifier: MM231318
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231318 |
| SMILES |
CC(OCC#N)C(C)(F)F
|
| InChIKey |
NNAJMQIBTKQRAI-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM241864
Similarity: 0.6424
Similarity to MM241864
| Tanimoto metric | 0.6424 |
|---|---|
| Cosine metric | 0.7825 |
| Dice metric | 0.7823 |
| MW: | 154.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84478
Similarity: 0.6233
Similarity to MM84478
| Tanimoto metric | 0.6233 |
|---|---|
| Cosine metric | 0.7681 |
| Dice metric | 0.7679 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239507
Similarity: 0.6204
Similarity to MM239507
| Tanimoto metric | 0.6204 |
|---|---|
| Cosine metric | 0.7689 |
| Dice metric | 0.7658 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+243 more
