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DocumentationIdentifier: MM303416
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303416 |
| SMILES |
CCCC(CCO)NC=N
|
| InChIKey |
NMDUYDXBHHYRQN-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM177819
Similarity: 0.7742
Similarity to MM177819
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107216
Similarity: 0.6237
Similarity to MM107216
| Tanimoto metric | 0.6237 |
|---|---|
| Cosine metric | 0.7897 |
| Dice metric | 0.7682 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155879
Similarity: 0.6176
Similarity to MM155879
| Tanimoto metric | 0.6176 |
|---|---|
| Cosine metric | 0.7699 |
| Dice metric | 0.7636 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+470 more
