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DocumentationIdentifier: MM99682
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM99682 |
| SMILES |
C#CCCNC(C=O)C=O
|
| InChIKey |
SUVGPMJZCUYGMB-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37994
Similarity: 0.7179
Similarity to MM37994
| Tanimoto metric | 0.7179 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8358 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM404340
Similarity: 0.6437
Similarity to MM404340
| Tanimoto metric | 0.6437 |
|---|---|
| Cosine metric | 0.7832 |
| Dice metric | 0.7832 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313843
Similarity: 0.6214
Similarity to MM313843
| Tanimoto metric | 0.6214 |
|---|---|
| Cosine metric | 0.7752 |
| Dice metric | 0.7665 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+387 more
