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DocumentationIdentifier: MM67752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM67752 |
| SMILES |
C=CC(OC=O)C(C)N
|
| InChIKey |
LQVYCVOMEWMUPG-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM305642
Similarity: 0.7857
Similarity to MM305642
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68784
Similarity: 0.6636
Similarity to MM68784
| Tanimoto metric | 0.6636 |
|---|---|
| Cosine metric | 0.8146 |
| Dice metric | 0.7978 |
| MW: | 117.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306920
Similarity: 0.618
Similarity to MM306920
| Tanimoto metric | 0.618 |
|---|---|
| Cosine metric | 0.7861 |
| Dice metric | 0.7639 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
