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DocumentationIdentifier: MM49547
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49547 |
| SMILES |
COCC(O)CNCC#N
|
| InChIKey |
BOZAZQUTPBYITA-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155676
Similarity: 0.8132
Similarity to MM155676
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.897 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM466815
Similarity: 0.7912
Similarity to MM466815
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8895 |
| Dice metric | 0.8834 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76500
Similarity: 0.7115
Similarity to MM76500
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8315 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
