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DocumentationIdentifier: MM303322
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303322 |
| SMILES |
C=CC(C=C)NC=O
|
| InChIKey |
GMBZEVWJZDGGAC-UHFFFAOYSA-N
|
| MW [Da] |
111.14
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
MM298627
Similarity: 0.8571
Similarity to MM298627
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 99.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302861
Similarity: 0.6462
Similarity to MM302861
| Tanimoto metric | 0.6462 |
|---|---|
| Cosine metric | 0.7878 |
| Dice metric | 0.785 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297559
Similarity: 0.6462
Similarity to MM297559
| Tanimoto metric | 0.6462 |
|---|---|
| Cosine metric | 0.7878 |
| Dice metric | 0.785 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+144 more
