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DocumentationIdentifier: MM94801
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94801 |
| SMILES |
C=C(C=O)N(C=O)CC=O
|
| InChIKey |
OOFPCYITTPSEPV-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.64
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180031
Similarity: 0.8158
Similarity to MM180031
| Tanimoto metric | 0.8158 |
|---|---|
| Cosine metric | 0.9032 |
| Dice metric | 0.8986 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94800
Similarity: 0.7447
Similarity to MM94800
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8537 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160702
Similarity: 0.6912
Similarity to MM160702
| Tanimoto metric | 0.6912 |
|---|---|
| Cosine metric | 0.8174 |
| Dice metric | 0.8174 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+87 more
