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DocumentationIdentifier: MM37097
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM37097 |
| SMILES |
C=C(C)CNC(C=O)C=O
|
| InChIKey |
WRTWCUASXNYCEI-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM39273
Similarity: 0.7073
Similarity to MM39273
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8286 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37994
Similarity: 0.6292
Similarity to MM37994
| Tanimoto metric | 0.6292 |
|---|---|
| Cosine metric | 0.7791 |
| Dice metric | 0.7724 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM99682
Similarity: 0.5773
Similarity to MM99682
| Tanimoto metric | 0.5773 |
|---|---|
| Cosine metric | 0.7339 |
| Dice metric | 0.732 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+43 more
