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DocumentationIdentifier: MM380229
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380229 |
| SMILES |
C#CC(C#CC#N)OC=O
|
| InChIKey |
YOFDJFRROAVTSL-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158427
Similarity: 0.8247
Similarity to MM158427
| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.9082 |
| Dice metric | 0.904 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178408
Similarity: 0.7629
Similarity to MM178408
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8734 |
| Dice metric | 0.8655 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303914
Similarity: 0.7327
Similarity to MM303914
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8457 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+34 more
