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DocumentationIdentifier: MM240032
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240032 |
| SMILES |
CCC(C)(O)COC=CF
|
| InChIKey |
AAPQKKMTOIULLP-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138261
Similarity: 0.8039
Similarity to MM138261
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8913 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167183
Similarity: 0.7157
Similarity to MM167183
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8343 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303131
Similarity: 0.6991
Similarity to MM303131
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8229 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+468 more
