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DocumentationIdentifier: MM303732
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM303732 |
| SMILES |
N=CNC(C=CF)CC=O
|
| InChIKey |
BEMSQUHGEFEGCA-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388254
Similarity: 0.6471
Similarity to MM388254
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.7865 |
| Dice metric | 0.7857 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305630
Similarity: 0.6357
Similarity to MM305630
| Tanimoto metric | 0.6357 |
|---|---|
| Cosine metric | 0.7775 |
| Dice metric | 0.7773 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90015
Similarity: 0.6096
Similarity to MM90015
| Tanimoto metric | 0.6096 |
|---|---|
| Cosine metric | 0.7575 |
| Dice metric | 0.7574 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+29 more
