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DocumentationIdentifier: MM276499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM276499 |
| SMILES |
C#CCNC(=O)C=CC=C
|
| InChIKey |
CSHCGZAFKNRJRC-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM298733
Similarity: 0.7872
Similarity to MM298733
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357904
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| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8587 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM303249
Similarity: 0.7255
Similarity to MM303249
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8409 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+358 more
