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DocumentationIdentifier: MM305630
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305630 |
| SMILES |
CC(C)C(C=CF)NC=N
|
| InChIKey |
PREKDAHIHSADEO-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179745
Similarity: 0.75
Similarity to MM179745
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393861
Similarity: 0.6412
Similarity to MM393861
| Tanimoto metric | 0.6412 |
|---|---|
| Cosine metric | 0.7821 |
| Dice metric | 0.7814 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM303732
Similarity: 0.6357
Similarity to MM303732
| Tanimoto metric | 0.6357 |
|---|---|
| Cosine metric | 0.7775 |
| Dice metric | 0.7773 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+190 more
