Compounds

Type:
---

AlogP:
2.34

Polar Surface Area:
79.58

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5197779

Name:
2-[4-(hydroxymethyl)piperidin-1-yl]-8-nitro-6-(trifluoromethyl)-4H-1,3-benzShow More⌵

Mol. Formula:
C15H14F3N3O4S

M.W.:
389.36

Type:
---

AlogP:
2.79

Polar Surface Area:
96.57

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5197572

Name:
2-(4-hydroxypiperidin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazinShow More⌵

Mol. Formula:
C14H12F3N3O4S

M.W.:
375.33

Type:
---

AlogP:
2.54

Polar Surface Area:
96.57

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5197458

Name:
2-(4-(8-nitro-4-oxo-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-2-yl)piperaShow More⌵

Mol. Formula:
C20H17F3N6O4S

M.W.:
494.46

Type:
---

AlogP:
2.74

Polar Surface Area:
121.57

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5197456

Name:
2-((2,2-difluoro-3-hydroxypropyl)(methyl)amino)-8-nitro-6-(trifluoromethyl)Show More⌵

Mol. Formula:
C13H10F5N3O4S

M.W.:
399.30

Type:
---

AlogP:
2.65

Polar Surface Area:
96.57

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5197412

Name:
3-(4-(8-nitro-4-oxo-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-2-yl)piperaShow More⌵

Mol. Formula:
C20H14F3N5O3S

M.W.:
461.43

Type:
---

AlogP:
3.78

Polar Surface Area:
103.37

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5197328

Name:
2,2,3,3,4,4-hexafluoro-1-(4-methylpiperazin-1-yl)-5-(4-(8-nitro-4-oxo-6-(trShow More⌵

Mol. Formula:
C23H21F9N6O5S

M.W.:
664.51

Type:
---

AlogP:
2.91

Polar Surface Area:
120.20

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5196795

Name:
2-((4-(2-hydroxyethyl)phenyl)(methyl)amino)-8-nitro-6-(trifluoromethyl)-4H-Show More⌵

Mol. Formula:
C18H14F3N3O4S

M.W.:
425.39

Type:
---

AlogP:
3.89

Polar Surface Area:
96.57

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5205537

Name:
2-((4-(hydroxymethyl)phenyl)amino)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][Show More⌵

Mol. Formula:
C16H10F3N3O4S

M.W.:
397.33

Type:
---

AlogP:
3.82

Polar Surface Area:
105.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5204154

Name:
8-nitro-2-(2-phenyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazin-7(8H)-yl)-6-(Show More⌵

Mol. Formula:
C20H13F3N6O3S

M.W.:
474.42

Type:
---

AlogP:
3.86

Polar Surface Area:
107.05

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5203558

Name:
2-((1H-indazol-5-yl)(methyl)amino)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][Show More⌵

Mol. Formula:
C17H10F3N5O3S

M.W.:
421.36

Type:
---

AlogP:
4.23

Polar Surface Area:
105.02

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5203546

Name:
2-(4-(2-(1-methylpiperidin-4-yl)ethyl)piperidin-1-yl)-8-nitro-6-(trifluoromShow More⌵

Mol. Formula:
C22H27F3N4O3S

M.W.:
484.54

Type:
---

AlogP:
4.92

Polar Surface Area:
79.58

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5203104

Name:
2-(benzyl(butyl)amino)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-Show More⌵

Mol. Formula:
C20H18F3N3O3S

M.W.:
437.44

Type:
---

AlogP:
5.39

Polar Surface Area:
76.34

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5202828

Name:
2-(6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl)-8-nitro-6-(trifluoroShow More⌵

Mol. Formula:
C14H9F3N6O3S

M.W.:
398.33

Type:
---

AlogP:
2.20

Polar Surface Area:
107.05

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5202764

Name:
2-((3-hydroxypropyl)(methyl)amino)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][Show More⌵

Mol. Formula:
C13H12F3N3O4S

M.W.:
363.32

Type:
---

AlogP:
2.40

Polar Surface Area:
96.57

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5202645

Name:
2-(4-(3-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)propyl)piperazin-1-yl)-8-nitrShow More⌵

Mol. Formula:
C25H24F4N4O5S

M.W.:
568.55

Type:
---

AlogP:
4.52

Polar Surface Area:
98.04

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5202384

Name:
8-nitro-2-(3-phenyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-6-(Show More⌵

Mol. Formula:
C20H13F3N6O3S

M.W.:
474.42

Type:
---

AlogP:
3.86

Polar Surface Area:
107.05

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5202314

Name:
8-nitro-2-(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-6-(trifluoroShow More⌵

Mol. Formula:
C21H14F3N5O3S

M.W.:
473.44