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DocumentationIdentifier: MM303034
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303034 |
| SMILES |
C=CC(=C)C(C)NC(C)=O
|
| InChIKey |
PSUQPWJAOQINJD-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
MM304919
Similarity: 0.7535
Similarity to MM304919
| Tanimoto metric | 0.7535 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8594 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299542
Similarity: 0.6972
Similarity to MM299542
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.835 |
| Dice metric | 0.8216 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304258
Similarity: 0.6957
Similarity to MM304258
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8205 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
