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DocumentationIdentifier: MM393224
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393224 |
| SMILES |
C#CCCN(CC)C(C)=N
|
| InChIKey |
NFFBEHJMJFUGMV-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179837
Similarity: 0.7802
Similarity to MM179837
| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM303772
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| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.871 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM408468
Similarity: 0.7027
Similarity to MM408468
| Tanimoto metric | 0.7027 |
|---|---|
| Cosine metric | 0.826 |
| Dice metric | 0.8254 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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