Compounds

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
116.94

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2289761

Name:
2,6-Dimethoxy-N-(5,8-dimethoxy-1,2,4-triazolo[1,5-c]pyrimidin-2-yl)-benzeneShow More⌵

Mol. Formula:
C15H17N5O6S

M.W.:
395.40

Type:
Small molecule

AlogP:
0.96

Polar Surface Area:
126.17

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2289760

Name:
3,5-Dichloro-N-(5,8-dimethoxy-1,2,4-triazolo[1,5-c]pyrimidin-2-yl)benzenesuShow More⌵

Mol. Formula:
C13H11Cl2N5O4S

M.W.:
404.24

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
107.71

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2289759

Name:
2,5-Dichloro-N-(5,8-dimethoxy-1,2,4-triazolo[1,5-c]pyrimidin-2-yl)benzenesuShow More⌵

Mol. Formula:
C13H11Cl2N5O4S

M.W.:
404.24

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
107.71

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2289758

Name:
2-Trifluoromethyl-N-(5,8-dimethoxy-1,2,4-triazolo[1,5-c]pyrimidin-2-yl)benzShow More⌵

Mol. Formula:
C14H12F3N5O4S

M.W.:
403.34

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
107.71

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2289757

Name:
2-Methoxy-N-(5,8-dimethoxy-1,2,4-triazolo[1,5-c]pyrimidin-2-yl)benzenesulfoShow More⌵

Mol. Formula:
C14H15N5O5S

M.W.:
365.37

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
116.94

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2289098

Name:
1-(2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)propan-2-yl)-4-methyl-3-phenShow More⌵

Mol. Formula:
C20H18ClF3N2O

M.W.:
394.82

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2289095

Name:
1-(2-(benzo[b]thiophen-3-yl)propan-2-yl)-4-methyl-3-phenyl-1H-pyrrol-2(5H)-Show More⌵

Mol. Formula:
C22H21NOS

M.W.:
347.48

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2289093

Name:
4-methyl-3-phenyl-1-(2-(thiazolo[5,4-b]pyridin-2-yl)propan-2-yl)-1H-pyrrol-Show More⌵

Mol. Formula:
C20H19N3OS

M.W.:
349.46

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
46.09

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2289089

Name:
1-(2-(4-tert-butylthiazol-2-yl)propan-2-yl)-4-methyl-3-phenyl-1H-pyrrol-2(5Show More⌵

Mol. Formula:
C21H26N2OS

M.W.:
354.52

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2289084

Name:
1-(2-(benzo[d]thiazol-2-yl)propan-2-yl)-4-methyl-3-(naphthalen-1-yl)-1H-pyrShow More⌵

Mol. Formula:
C25H22N2OS

M.W.:
398.53

Type:
Small molecule

AlogP:
6.00

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2289081

Name:
1-(2-(benzo[d]thiazol-2-yl)propan-2-yl)-4-methyl-3-phenoxy-1H-pyrrol-2(5H)-Show More⌵

Mol. Formula:
C21H20N2O2S

M.W.:
364.47

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2289078

Name:
1-(2-(benzo[d]thiazol-2-yl)propan-2-yl)-3-(2-chlorophenyl)-4-methyl-1H-pyrrShow More⌵

Mol. Formula:
C21H19ClN2OS

M.W.:
382.92

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2289076

Name:
1-(2-(benzo[d]thiazol-2-yl)propan-2-yl)-3-(3-fluorophenyl)-4-methyl-1H-pyrrShow More⌵

Mol. Formula:
C21H19FN2OS

M.W.:
366.46

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289074

Name:
1-(2-(benzo[d]thiazol-2-yl)propan-2-yl)-3-(3-chlorophenyl)-4-methyl-1H-pyrrShow More⌵

Mol. Formula:
C21H19ClN2OS

M.W.:
382.92

Type:
Small molecule

AlogP:
5.50

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2289073

Name:
1-(2-(benzo[d]thiazol-2-yl)propan-2-yl)-3-(4-fluorophenyl)-4-methyl-1H-pyrrShow More⌵

Mol. Formula:
C21H19FN2OS

M.W.:
366.46

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
33.20

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289070

Name:
1-(2-(benzo[d]thiazol-2-yl)propan-2-yl)-3-(2-methoxyphenyl)-4-methyl-1H-pyrShow More⌵

Mol. Formula:
C22H22N2O2S

M.W.:
378.50

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2289016

Name:
ethyl 5-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)-1,3-dimethyl-1HShow More⌵

Mol. Formula:
C15H20N6O7S

M.W.:
428.43

5 unique targets

Type:
Small molecule

AlogP:
0.22

Polar Surface Area:
163.63

HBA:
11

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2289014

Name:
methyl 5-(N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl)-1-methyl-1H-pyShow More⌵

Mol. Formula:
C13H16N6O7S

M.W.:
400.37