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DocumentationIdentifier: MM281640
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281640 |
| SMILES |
CC(C=CCC#N)NC=O
|
| InChIKey |
WETLJSGFGZSYPE-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM303899
Similarity: 0.7245
Similarity to MM303899
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.841 |
| Dice metric | 0.8402 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56644
Similarity: 0.6932
Similarity to MM56644
| Tanimoto metric | 0.6932 |
|---|---|
| Cosine metric | 0.8326 |
| Dice metric | 0.8188 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284328
Similarity: 0.6863
Similarity to MM284328
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.814 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
