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DocumentationIdentifier: MM280976
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280976 |
| SMILES |
CC(C)NC(C#N)CC=O
|
| InChIKey |
QBUKUNUSTNOQGA-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM281512
Similarity: 0.819
Similarity to MM281512
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.9005 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47211
Similarity: 0.8119
Similarity to MM47211
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.8968 |
| Dice metric | 0.8962 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281102
Similarity: 0.785
Similarity to MM281102
| Tanimoto metric | 0.785 |
|---|---|
| Cosine metric | 0.8796 |
| Dice metric | 0.8796 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
