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DocumentationIdentifier: MM236733
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236733 |
| SMILES |
N=C(CC(F)F)NCCO
|
| InChIKey |
LGQCFPXNSVTREB-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291798
Similarity: 0.7257
Similarity to MM291798
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.841 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236731
Similarity: 0.7248
Similarity to MM236731
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8404 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236732
Similarity: 0.693
Similarity to MM236732
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8187 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+382 more
