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DocumentationIdentifier: MM273490
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273490 |
| SMILES |
C=CC=C(C=O)CC(C)C
|
| InChIKey |
OVRWSSPLBMFDLR-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150281
Similarity: 0.7879
Similarity to MM150281
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224384
Similarity: 0.7054
Similarity to MM224384
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8278 |
| Dice metric | 0.8272 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382353
Similarity: 0.693
Similarity to MM382353
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8187 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+523 more
