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DocumentationIdentifier: MM162039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162039 |
| SMILES |
CC(O)C(N)CNC=N
|
| InChIKey |
NGQVLNQYHZZYIX-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-1.11
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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MM303109
Similarity: 0.8545
Similarity to MM303109
| Tanimoto metric | 0.8545 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9216 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7966 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8868 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM235067
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Similarity to MM235067
| Tanimoto metric | 0.6528 |
|---|---|
| Cosine metric | 0.8079 |
| Dice metric | 0.7899 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+407 more
