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DocumentationIdentifier: MM70581
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70581 |
| SMILES |
COCC(=O)OC=CCN
|
| InChIKey |
OVJKMTACSGMGCV-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168584
Similarity: 0.8587
Similarity to MM168584
| Tanimoto metric | 0.8587 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.924 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156904
Similarity: 0.8261
Similarity to MM156904
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356812
Similarity: 0.7755
Similarity to MM356812
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8736 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
