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DocumentationIdentifier: MM82653
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82653 |
| SMILES |
C#CC(=N)NCC=CC=O
|
| InChIKey |
MXJOQMGHFOFGBY-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370046
Similarity: 0.7576
Similarity to MM370046
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.863 |
| Dice metric | 0.8621 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153360
Similarity: 0.7473
Similarity to MM153360
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370149
Similarity: 0.7426
Similarity to MM370149
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8523 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
