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DocumentationIdentifier: MM278722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM278722 |
| SMILES |
C=C(CCO)CNC=NC
|
| InChIKey |
PRWBNJJCOKSTCX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156231
Similarity: 0.8632
Similarity to MM156231
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303417
Similarity: 0.6847
Similarity to MM303417
| Tanimoto metric | 0.6847 |
|---|---|
| Cosine metric | 0.8129 |
| Dice metric | 0.8128 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89108
Similarity: 0.6757
Similarity to MM89108
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8066 |
| Dice metric | 0.8065 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
