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DocumentationIdentifier: MM84837
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84837 |
| SMILES |
C=C(CCN)C(C)OC=O
|
| InChIKey |
HXEHFMIEBCLTSA-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172570
Similarity: 0.7778
Similarity to MM172570
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377641
Similarity: 0.7107
Similarity to MM377641
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.8331 |
| Dice metric | 0.8309 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293534
Similarity: 0.6282
Similarity to MM293534
| Tanimoto metric | 0.6282 |
|---|---|
| Cosine metric | 0.7717 |
| Dice metric | 0.7717 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
