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DocumentationIdentifier: MM303863
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303863 |
| SMILES |
C=C(C)C=CC(C)NC=O
|
| InChIKey |
YHUOUZWVGAAXRB-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM300453
Similarity: 0.7347
Similarity to MM300453
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8471 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303899
Similarity: 0.6729
Similarity to MM303899
| Tanimoto metric | 0.6729 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.8045 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284328
Similarity: 0.6396
Similarity to MM284328
| Tanimoto metric | 0.6396 |
|---|---|
| Cosine metric | 0.7825 |
| Dice metric | 0.7802 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
