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DocumentationIdentifier: MM261584
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261584 |
| SMILES |
COCC(C)CN(C)C=O
|
| InChIKey |
JSDZIEBENKBXFI-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM326279
Similarity: 0.74
Similarity to MM326279
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8506 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166028
Similarity: 0.7065
Similarity to MM166028
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.828 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303979
Similarity: 0.6893
Similarity to MM303979
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8174 |
| Dice metric | 0.8161 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+386 more
