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DocumentationIdentifier: MM246377
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246377 |
| SMILES |
C=C(CO)OC(=O)C(C)O
|
| InChIKey |
DEPQGLAWBYRGHC-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40850
Similarity: 0.8143
Similarity to MM40850
| Tanimoto metric | 0.8143 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.8976 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246376
Similarity: 0.7391
Similarity to MM246376
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.85 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246373
Similarity: 0.7048
Similarity to MM246373
| Tanimoto metric | 0.7048 |
|---|---|
| Cosine metric | 0.8269 |
| Dice metric | 0.8269 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+114 more
