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DocumentationIdentifier: MM303249
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303249 |
| SMILES |
C=CC=CC(=O)NCC=C
|
| InChIKey |
GGDJJXIBPVLBFC-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM298733
Similarity: 0.9024
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| Tanimoto metric | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM304677
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| Tanimoto metric | 0.8415 |
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| Cosine metric | 0.9173 |
| Dice metric | 0.9139 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM276499
Similarity: 0.7255
Similarity to MM276499
| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8409 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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