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DocumentationIdentifier: MM235252
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235252 |
| SMILES |
C=COCC(C)(C)C(C)=O
|
| InChIKey |
MIMCZXGHYIVIPB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162286
Similarity: 0.7757
Similarity to MM162286
| Tanimoto metric | 0.7757 |
|---|---|
| Cosine metric | 0.8807 |
| Dice metric | 0.8737 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235191
Similarity: 0.6992
Similarity to MM235191
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8232 |
| Dice metric | 0.823 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303257
Similarity: 0.6748
Similarity to MM303257
| Tanimoto metric | 0.6748 |
|---|---|
| Cosine metric | 0.8064 |
| Dice metric | 0.8058 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+171 more
