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DocumentationIdentifier: MM252083
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252083 |
| SMILES |
CC(O)C=CC(C)NC=O
|
| InChIKey |
FZFAZARJQBSJFP-UHFFFAOYSA-N
|
| MW [Da] |
143.19
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
MM157798
Similarity: 0.7573
Similarity to MM157798
| Tanimoto metric | 0.7573 |
|---|---|
| Cosine metric | 0.8702 |
| Dice metric | 0.8619 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299846
Similarity: 0.661
Similarity to MM299846
| Tanimoto metric | 0.661 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7959 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303899
Similarity: 0.614
Similarity to MM303899
| Tanimoto metric | 0.614 |
|---|---|
| Cosine metric | 0.7664 |
| Dice metric | 0.7609 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
