Compounds

Type:
---

AlogP:
3.04

Polar Surface Area:
116.80

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5208937

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

Mol. Formula:
C16H18F3N3O3S

M.W.:
389.40

Type:
---

AlogP:
4.60

Polar Surface Area:
76.34

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5208732

Name:
8-nitro-2-(2-phenyl-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-6-(trifluorShow More⌵

Mol. Formula:
C22H14F3N5O3S

M.W.:
485.45

Type:
---

AlogP:
4.60

Polar Surface Area:
102.12

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5208588

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

Mol. Formula:
C15H11F3N6O3S

M.W.:
412.35

Type:
---

AlogP:
2.50

Polar Surface Area:
107.05

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5208468

Name:
2-((3R,4R)-3-Hydroxy-4-phenylpiperidin-1-yl)-8-nitro-6-(trifiuoromethyl)-4HShow More⌵

Mol. Formula:
C20H16F3N3O4S

M.W.:
451.43

4 activity values

3 unique targets

Type:
---

AlogP:
3.94

Polar Surface Area:
96.57

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5208270

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

Mol. Formula:
C20H23F3N4O4S

M.W.:
472.49

Type:
---

AlogP:
3.66

Polar Surface Area:
88.81

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5207751

Name:
8-Nitro-2-(4-((1-(2,2,2-trifluoroethyl)piperidin-4-yl)oxy)piperidin-1-yl)-6Show More⌵

Mol. Formula:
C21H22F6N4O4S

M.W.:
540.49

4 activity values

3 unique targets

Type:
---

AlogP:
4.60

Polar Surface Area:
88.81

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5207582

Name:
2-(1-ethyl-2-phenyl-4,6-dihydropyrrolo[3,4-d]imidazol-5(1H)-yl)-8-nitro-6-(Show More⌵

Mol. Formula:
C22H16F3N5O3S

M.W.:
487.46

Type:
---

AlogP:
4.99

Polar Surface Area:
94.16

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5206457

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

Mol. Formula:
C21H19F3N4O3S

M.W.:
464.47

Type:
---

AlogP:
3.95

Polar Surface Area:
79.58

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5206453

Name:
8-nitro-2-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)-6-(trifluoromeShow More⌵

Mol. Formula:
C19H20F3N5O4S

M.W.:
471.46

Type:
---

AlogP:
2.33

Polar Surface Area:
99.89

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

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