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DocumentationIdentifier: MM108120
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108120 |
| SMILES |
CC(O)C(C)NC=O
|
| InChIKey |
TVZKUTCZEDRHNS-UHFFFAOYSA-N
|
| MW [Da] |
117.15
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179653
Similarity: 0.766
Similarity to MM179653
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171967
Similarity: 0.7423
Similarity to MM171967
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.8521 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171969
Similarity: 0.7347
Similarity to MM171969
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8471 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+515 more
