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DocumentationIdentifier: MM73107
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73107 |
| SMILES |
CC(=O)C(C)OCCCO
|
| InChIKey |
LMPIGRYWUMHWPI-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162184
Similarity: 0.8778
Similarity to MM162184
| Tanimoto metric | 0.8778 |
|---|---|
| Cosine metric | 0.9369 |
| Dice metric | 0.9349 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63526
Similarity: 0.798
Similarity to MM63526
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8877 |
| Dice metric | 0.8876 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301521
Similarity: 0.798
Similarity to MM301521
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8877 |
| Dice metric | 0.8876 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
