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DocumentationIdentifier: MM47918
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47918 |
| SMILES |
C#CCCC(O)C(=O)O
|
| InChIKey |
PKXWMAGZVOBKLF-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM303206
Similarity: 0.725
Similarity to MM303206
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303198
Similarity: 0.6444
Similarity to MM303198
| Tanimoto metric | 0.6444 |
|---|---|
| Cosine metric | 0.8028 |
| Dice metric | 0.7838 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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2-hydroxy-4-methylpentanoic Acid
Similarity: 0.6415
Similarity to 2-hydroxy-4-methylpentanoic Acid
| Tanimoto metric | 0.6415 |
|---|---|
| Cosine metric | 0.7816 |
| Dice metric | 0.7816 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
