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DocumentationIdentifier: MM413943
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413943 |
| SMILES |
C=CC(=CF)OCCOC
|
| InChIKey |
GTELDKMILYOPRS-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167807
Similarity: 0.7263
Similarity to MM167807
| Tanimoto metric | 0.7263 |
|---|---|
| Cosine metric | 0.8522 |
| Dice metric | 0.8415 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342142
Similarity: 0.68
Similarity to MM342142
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8132 |
| Dice metric | 0.8095 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166907
Similarity: 0.6737
Similarity to MM166907
| Tanimoto metric | 0.6737 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.805 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
