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DocumentationIdentifier: MM302263
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302263 |
| SMILES |
CCC=CC(C)(C)NC=O
|
| InChIKey |
UMTSCCZXADLFEO-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM299831
Similarity: 0.8421
Similarity to MM299831
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59147
Similarity: 0.678
Similarity to MM59147
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8087 |
| Dice metric | 0.8081 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303899
Similarity: 0.6604
Similarity to MM303899
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.798 |
| Dice metric | 0.7955 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+262 more
