Compounds

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
80.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2288929

Name:
1-((6-Chloropyridin-3-yl)methyl)-5,6-diethoxy-5-methyl-7-nitro-2,3,5,6-tetrShow More⌵

Mol. Formula:
C17H23ClN4O4

M.W.:
382.85

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
80.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2288928

Name:
1-((6-Chloropyridin-3-yl)methyl)-5,6-dimethoxy-5-methyl-7-nitro-2,3,5,6-tetShow More⌵

Mol. Formula:
C15H19ClN4O4

M.W.:
354.79

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
80.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2288927

Name:
1-((6-Chloropyridin-3-yl)methyl)-5-methyl-7-nitro-2,3,5,6-tetrahydro-1HpyrrShow More⌵

Mol. Formula:
C13H15ClN4O4

M.W.:
326.74

Type:
Small molecule

AlogP:
0.38

Polar Surface Area:
102.97

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2288926

Name:
N-((6-Chloropyridin-3-yl)methyl)-N-ethyl-4-methoxy-1,5-dimethyl-3-nitro-1H-Show More⌵

Mol. Formula:
C15H19ClN4O3

M.W.:
338.80

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
73.43

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2288925

Name:
3-Butoxy-5-(((6-chloropyridin-3-yl)methyl)(ethyl)amino)-1,2-dimethyl-4-nitrShow More⌵

Mol. Formula:
C18H27ClN4O4

M.W.:
398.89

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
91.97

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2288924

Name:
5-(((6-Chloropyridin-3-yl)methyl)(ethyl)amino)-3-isopropoxy-1,2-dimethyl-4-Show More⌵

Mol. Formula:
C17H25ClN4O4

M.W.:
384.86

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
91.97

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2288923

Name:
5-(((6-Chloropyridin-3-yl)methyl)(ethyl)amino)-1,2-dimethyl-4-nitro-3-propoShow More⌵

Mol. Formula:
C17H25ClN4O4

M.W.:
384.86

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
91.97

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2288922

Name:
5-(((6-Chloropyridin-3-yl)methyl)(ethyl)amino)-3-ethoxy-1,2-dimethyl-4-nitrShow More⌵

Mol. Formula:
C16H23ClN4O4

M.W.:
370.84

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
91.97

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2288921

Name:
5-(((6-Chloropyridin-3-yl)methyl)(ethyl)amino)-3-methoxy-1,2-dimethyl-4-nitShow More⌵

Mol. Formula:
C15H21ClN4O4

M.W.:
356.81

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
91.97

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2288920

Name:
6-Butoxy-1-((6-chloropyridin-3-yl)methyl)-5-methyl-7-nitro-2,3-dihydro-1H-pShow More⌵

Mol. Formula:
C17H21ClN4O3

M.W.:
364.83

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
73.43

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2288919

Name:
1-((6-Chloropyridin-3-yl)methyl)-5-methyl-7-nitro-6-propoxy-2,3-dihydro-1H-Show More⌵

Mol. Formula:
C16H19ClN4O3

M.W.:
350.81

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
73.43

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2288918

Name:
1-((6-Chloropyridin-3-yl)methyl)-6-ethoxy-5-methyl-7-nitro-2,3-dihydro-1H-pShow More⌵

Mol. Formula:
C15H17ClN4O3

M.W.:
336.78

Type:
Small molecule

AlogP:
3.17

Polar Surface Area:
73.43

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2288917

Name:
1-((6-Chloropyridin-3-yl)methyl)-6-methoxy-5-methyl-7-nitro-2,3-dihydro-1H-Show More⌵

Mol. Formula:
C14H15ClN4O3

M.W.:
322.75

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
73.43

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2288916

Name:
1-((6-Chloropyridin-3-yl)methyl)-4a-methyl-11-nitro-2,3,4a,6,7,8,9,10a-octaShow More⌵

Mol. Formula:
C17H21ClN4O4

M.W.:
380.83

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
80.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2288915

Name:
1-((6-Chloropyridin-3-yl)methyl)-4a-methyl-10-nitro-1,2,3,4a,6,7,8,9a-octahShow More⌵

Mol. Formula:
C16H19ClN4O4

M.W.:
366.81

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
80.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2288914

Name:
8-((6-Chloropyridin-3-yl)methyl)-4a-methyl-9-nitro-3,4a,6,7,8,9ahexahydro-2Show More⌵

Mol. Formula:
C15H17ClN4O4

M.W.:
352.78

Type:
Small molecule

AlogP:
1.44

Polar Surface Area:
80.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2288660

Name:
1-((6-Chloropyridin-3-yl)methyl)-5-methyl-7-nitro-2,3-dihydro-1H-pyrrolo[1,Show More⌵

Mol. Formula:
C13H13ClN4O3

M.W.:
308.73

Type:
Small molecule

AlogP:
1.27

Polar Surface Area:
79.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2288659

Name:
5,6-Dibutoxy-1-((6-chloropyridin-3-yl)methyl)-5-methyl-7-nitro-2,3,5,6-tetrShow More⌵

Mol. Formula:
C21H31ClN4O4

M.W.:
438.96

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
80.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA2288658

Name:
N-((6-Chloropyridin-3-yl)methyl)-N-ethyl-1,5-dimethyl-3-nitro-4-propoxy-1H-Show More⌵

Mol. Formula:
C17H23ClN4O3

M.W.:
366.85