Compounds

ALA5267134

Name:
2-((2-methylpyridin-4-yl)amino)-5-phenylnicotinonitrile

Mol. Formula:
C18H14N4

M.W.:
286.34

Type:
---

AlogP:
4.07

Polar Surface Area:
61.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5282358

Name:
(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)tShow More⌵

Mol. Formula:
C13H14Cl2F3NO4S2

M.W.:
440.29

Type:
---

AlogP:
2.47

Polar Surface Area:
80.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5281937

Name:
5-(4-chlorophenyl)-2-((3,5-dimethylphenyl)amino)nicotinonitrile

Mol. Formula:
C20H16ClN3

M.W.:
333.82

Type:
---

AlogP:
5.63

Polar Surface Area:
48.71

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5281401

Name:
(3S,4R)-3-((6-aminohexyl)amino)-4-((3,4-dichlorophenyl)sulfonyl)tetrahydrotShow More⌵

Mol. Formula:
C16H24Cl2N2O4S2

M.W.:
443.42

Type:
---

AlogP:
2.04

Polar Surface Area:
106.33

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5280541

Name:
2-((6-methylpyridin-2-yl)amino)-5-phenylnicotinonitrile

Mol. Formula:
C18H14N4

M.W.:
286.34

Type:
---

AlogP:
4.07

Polar Surface Area:
61.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5279889

Name:
2-(3,5-dimethylphenoxy)-5-phenylnicotinonitrile

Mol. Formula:
C20H16N2O

M.W.:
300.36

Type:
---

AlogP:
5.03

Polar Surface Area:
45.91

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5279756

Name:
(3S,4R)-N-(3,4-dichlorophenyl)-4-(isobutylamino)tetrahydrothiophene-3-carboShow More⌵

Mol. Formula:
C15H20Cl2N2O3S

M.W.:
379.31

Type:
---

AlogP:
2.59

Polar Surface Area:
75.27

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5279018

Name:
Ethyl 2-((3-cyano-5-phenylpyridin-2-yl)amino)isonicotinate

Mol. Formula:
C20H16N4O2

M.W.:
344.37

Type:
---

AlogP:
3.94

Polar Surface Area:
87.90

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5277837

Name:
3-(((3S,4R)-4-((3,4-dichlorophenyl)sulfonyl)-1,1-dioxidotetrahydrothiophen-Show More⌵

Mol. Formula:
C13H16Cl2N2O5S2

M.W.:
415.32

Type:
---

AlogP:
0.40

Polar Surface Area:
123.40

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5277690

Name:
(3S,4R)-3-((4-aminobutyl)amino)-4-((3,4-dichlorophenyl)sulfonyl)tetrahydrotShow More⌵

Mol. Formula:
C14H20Cl2N2O4S2

M.W.:
415.36

Type:
---

AlogP:
1.26

Polar Surface Area:
106.33

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5277336

Name:
2-(((3S,4R)-4-((3,4-dichlorophenyl)sulfonyl)-1,1-dioxidotetrahydrothiophen-Show More⌵

Mol. Formula:
C12H15Cl2NO7S3

M.W.:
452.36

Type:
---

AlogP:
0.41

Polar Surface Area:
134.68

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5276815

Name:
(3S,4R)-4-(3,4-dichlorophenyl)sulfonyl-1,1-dioxo-thiolan-3-amine

Mol. Formula:
C10H11Cl2NO4S2

M.W.:
344.24

Type:
---

AlogP:
0.89

Polar Surface Area:
94.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5276537

Name:
2-((3-amino-5-methylphenyl)amino)quinoline-3-carbonitrile

Mol. Formula:
C17H14N4

M.W.:
274.33

Type:
---

AlogP:
3.74

Polar Surface Area:
74.73

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5275658

Name:
2-((4-methoxypyridin-2-yl)amino)-4-phenylnicotinonitrile

Mol. Formula:
C18H14N4O

M.W.:
302.34

Type:
---

AlogP:
3.77

Polar Surface Area:
70.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5275538

Name:
5-phenyl-2-((4-(cyclopropyl)pyridin-2-yl)amino)nicotinonitrile

Mol. Formula:
C20H16N4

M.W.:
312.38

Type:
---

AlogP:
4.64

Polar Surface Area:
61.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5275467

Name:
3-((3,5-dimethylphenyl)amino)-6-phenylpyrazine-2-carbonitrile

Mol. Formula:
C19H16N4

M.W.:
300.37

Type:
---

AlogP:
4.38

Polar Surface Area:
61.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5275264

Name:
6-(((3S,4R)-4-((3,4-dichlorophenyl)sulfonyl)-1,1-dioxidotetrahydrothiophen-Show More⌵

Mol. Formula:
C16H21Cl2NO6S2

M.W.:
458.39

Type:
---

AlogP:
2.17

Polar Surface Area:
117.61

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5275004

Name:
(3R,4S)-3-((3,4-dichlorophenyl)sulfonyl)-4-(isobutylamino)tetrahydrothiopheShow More⌵

Mol. Formula:
C14H19Cl2NO4S2

M.W.:
400.35

Type:
---

AlogP:
2.18

Polar Surface Area:
80.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5274677

Name:
3-(((3S,4R)-4-((3,4-dichlorophenyl)sulfonyl)-1,1-dioxidotetrahydrothiophen-Show More⌵

Mol. Formula:
C13H15Cl2NO6S2

M.W.:
416.30

Type:
---

AlogP:
1.00

Polar Surface Area:
117.61

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5274567

Name:
2-((3,5-dimethylphenyl)amino)-5-(p-tolyl)nicotinonitrile

Mol. Formula:
C21H19N3

M.W.:
313.40

Type:
---

AlogP:
5.29

Polar Surface Area:
48.71

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS