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DocumentationIdentifier: MM405404
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405404 |
| SMILES |
COC(C=O)=CC=CCF
|
| InChIKey |
KSXPUWWHDOLNMK-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
1.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171444
Similarity: 0.6961
Similarity to MM171444
| Tanimoto metric | 0.6961 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8208 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405496
Similarity: 0.6942
Similarity to MM405496
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8195 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347640
Similarity: 0.6917
Similarity to MM347640
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8177 |
| Dice metric | 0.8177 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+70 more
