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DocumentationIdentifier: MM372739
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372739 |
| SMILES |
CC(C=O)N=CNCCO
|
| InChIKey |
ALHKXQGUFTUFSI-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM372899
Similarity: 0.7097
Similarity to MM372899
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.8302 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85883
Similarity: 0.7
Similarity to MM85883
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM321268
Similarity: 0.6667
Similarity to MM321268
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8004 |
| Dice metric | 0.8 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
