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DocumentationIdentifier: MM291845
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291845 |
| SMILES |
CCCC(=O)OCCCO
|
| InChIKey |
KMBBFZNKUXOELM-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM258195
Similarity: 0.7742
Similarity to MM258195
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8727 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107336
Similarity: 0.7692
Similarity to MM107336
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 4
Total passive interactions
|
| LogP: | 1.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291979
Similarity: 0.6947
Similarity to MM291979
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8199 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+802 more
