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DocumentationIdentifier: MM229559
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229559 |
| SMILES |
CC(C)=COCCC(=O)O
|
| InChIKey |
UMGCHDYPHXSLHG-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242543
Similarity: 0.8718
Similarity to MM242543
| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238509
Similarity: 0.7816
Similarity to MM238509
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8774 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396507
Similarity: 0.7391
Similarity to MM396507
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8503 |
| Dice metric | 0.85 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
