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DocumentationIdentifier: MM94994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94994 |
| SMILES |
CC=CC(CO)N(C)C=O
|
| InChIKey |
HFTIDMDFLKDBLY-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174068
Similarity: 0.6829
Similarity to MM174068
| Tanimoto metric | 0.6829 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8116 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85760
Similarity: 0.6475
Similarity to MM85760
| Tanimoto metric | 0.6475 |
|---|---|
| Cosine metric | 0.7882 |
| Dice metric | 0.786 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM88908
Similarity: 0.6403
Similarity to MM88908
| Tanimoto metric | 0.6403 |
|---|---|
| Cosine metric | 0.7831 |
| Dice metric | 0.7807 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
