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DocumentationIdentifier: MM303758
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303758 |
| SMILES |
C=CCN(C=NC)CC=O
|
| InChIKey |
PBFMQHKDXYVOMQ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178048
Similarity: 0.8152
Similarity to MM178048
| Tanimoto metric | 0.8152 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.8982 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178198
Similarity: 0.7283
Similarity to MM178198
| Tanimoto metric | 0.7283 |
|---|---|
| Cosine metric | 0.8534 |
| Dice metric | 0.8428 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70524
Similarity: 0.7174
Similarity to MM70524
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.847 |
| Dice metric | 0.8354 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+281 more
