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DocumentationIdentifier: MM431232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM431232 |
| SMILES |
CCC(C#N)NCC=O
|
| InChIKey |
VXEZSKFVKLWGOK-UHFFFAOYSA-N
|
| MW [Da] |
126.16
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
MM281102
Similarity: 0.8125
Similarity to MM281102
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM430165
Similarity: 0.7879
Similarity to MM430165
| Tanimoto metric | 0.7879 |
|---|---|
| Cosine metric | 0.8876 |
| Dice metric | 0.8814 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59627
Similarity: 0.78
Similarity to MM59627
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8764 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+387 more
