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DocumentationIdentifier: MM293334
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293334 |
| SMILES |
C=CC(NC(C)=O)C(C)C
|
| InChIKey |
NPEVBTQQRURHMV-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304950
Similarity: 0.7917
Similarity to MM304950
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
| Dice metric | 0.8837 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304121
Similarity: 0.675
Similarity to MM304121
| Tanimoto metric | 0.675 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.806 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303217
Similarity: 0.669
Similarity to MM303217
| Tanimoto metric | 0.669 |
|---|---|
| Cosine metric | 0.8018 |
| Dice metric | 0.8017 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
