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DocumentationIdentifier: MM96413
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM96413 |
| SMILES |
COCC(C=O)CCCO
|
| InChIKey |
YWRMBOVRCRDFEM-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177945
Similarity: 0.8605
Similarity to MM177945
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402840
Similarity: 0.8444
Similarity to MM402840
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9163 |
| Dice metric | 0.9157 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386739
Similarity: 0.7327
Similarity to MM386739
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8457 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
