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DocumentationIdentifier: MM89108
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM89108 |
| SMILES |
C=CCC(=C)CNC=NC
|
| InChIKey |
DAFYNIOVZXYGJJ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156495
Similarity: 0.8462
Similarity to MM156495
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303417
Similarity: 0.7103
Similarity to MM303417
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8306 |
| Dice metric | 0.8306 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM278722
Similarity: 0.6757
Similarity to MM278722
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.8065 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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