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DocumentationIdentifier: MM303634
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303634 |
| SMILES |
C=COC(C)CNC=O
|
| InChIKey |
JVDVPELORGIKOL-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM293255
Similarity: 0.7642
Similarity to MM293255
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8663 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303510
Similarity: 0.7297
Similarity to MM303510
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8438 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387788
Similarity: 0.7043
Similarity to MM387788
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8393 |
| Dice metric | 0.8265 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
