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DocumentationIdentifier: MM278656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM278656 |
| SMILES |
CC=COCC(C)NC=N
|
| InChIKey |
HSNSIOMFDIWIDJ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167204
Similarity: 0.7912
Similarity to MM167204
| Tanimoto metric | 0.7912 |
|---|---|
| Cosine metric | 0.8895 |
| Dice metric | 0.8834 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73931
Similarity: 0.699
Similarity to MM73931
| Tanimoto metric | 0.699 |
|---|---|
| Cosine metric | 0.8235 |
| Dice metric | 0.8229 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303189
Similarity: 0.6792
Similarity to MM303189
| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.809 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+552 more
