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DocumentationIdentifier: MM91180
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM91180 |
| SMILES |
CCC(=O)CCOCCO
|
| InChIKey |
NEVMEARJYMAVIP-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
MM166367
Similarity: 0.8514
Similarity to MM166367
| Tanimoto metric | 0.8514 |
|---|---|
| Cosine metric | 0.9227 |
| Dice metric | 0.9197 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291741
Similarity: 0.8101
Similarity to MM291741
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8951 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68383
Similarity: 0.7625
Similarity to MM68383
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8663 |
| Dice metric | 0.8652 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+336 more
