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DocumentationIdentifier: MM405340
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405340 |
| SMILES |
CCC=CC=C(C=O)CC
|
| InChIKey |
QPTZKNFADDMUKJ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM202014
Similarity: 0.9342
Similarity to MM202014
| Tanimoto metric | 0.9342 |
|---|---|
| Cosine metric | 0.9665 |
| Dice metric | 0.966 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM347591
Similarity: 0.9
Similarity to MM347591
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9474 |
| Dice metric | 0.9474 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326110
Similarity: 0.8375
Similarity to MM326110
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9116 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+470 more
