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DocumentationIdentifier: MM345828
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345828 |
| SMILES |
NCC(CN)OC=C(F)F
|
| InChIKey |
ZVWNXBWYCFVWON-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM228764
Similarity: 0.7423
Similarity to MM228764
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8521 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68176
Similarity: 0.725
Similarity to MM68176
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 119.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345824
Similarity: 0.6729
Similarity to MM345824
| Tanimoto metric | 0.6729 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.8045 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
