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DocumentationIdentifier: MM88712
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88712 |
| SMILES |
C#CC(=O)CC(=N)NC=C
|
| InChIKey |
DPGOEGMVMYPJRS-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM246571
Similarity: 0.6818
Similarity to MM246571
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8111 |
| Dice metric | 0.8108 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52841
Similarity: 0.6516
Similarity to MM52841
| Tanimoto metric | 0.6516 |
|---|---|
| Cosine metric | 0.7897 |
| Dice metric | 0.7891 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87000
Similarity: 0.625
Similarity to MM87000
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7695 |
| Dice metric | 0.7692 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
