Compounds

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
122.41

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3982208

Name:
2-(5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)-2-(phenylcarbamoyl)phenShow More⌵

Mol. Formula:
C28H31N3O7S

M.W.:
553.64

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
125.48

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3981836

Name:
2-(2-chloro-5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)phenoxy)acetic Show More⌵

Mol. Formula:
C21H25ClN2O6S

M.W.:
468.96

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
96.38

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3979423

Name:
2-(5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)-2-methylphenoxy)acetic Show More⌵

Mol. Formula:
C22H28N2O6S

M.W.:
448.54

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
96.38

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3978260

Name:
2-(5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)-2-(5-methyloxazol-2-yl)Show More⌵

Mol. Formula:
C25H29N3O7S

M.W.:
515.59

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
122.41

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3975700

Name:
2-(2-chloro-5-(4-(4-(isopropylthio)phenylsulfonyl)piperazin-1-yl)phenoxy)acShow More⌵

Mol. Formula:
C21H25ClN2O5S2

M.W.:
485.03

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
87.15

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3975257

Name:
2-(5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)-2-(picolinamido)phenoxyShow More⌵

Mol. Formula:
C27H30N4O7S

M.W.:
554.63

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
138.37

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3973247

Name:
2-(2-bromo-5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)phenoxy)acetic aShow More⌵

Mol. Formula:
C21H25BrN2O6S

M.W.:
513.41

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
96.38

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3972788

Name:
2-(5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)-2-(nicotinamido)phenoxyShow More⌵

Mol. Formula:
C27H30N4O7S

M.W.:
554.63

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
138.37

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3969800

Name:
2-(5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)-2-(methylcarbamoyl)phenShow More⌵

Mol. Formula:
C23H29N3O7S

M.W.:
491.57

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
125.48

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3969111

Name:
2-(2-(benzyloxy)-5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)phenoxy)acShow More⌵

Mol. Formula:
C28H32N2O7S

M.W.:
540.64

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
105.61

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3966776

Name:
2-(6-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)pyridin-2-yloxy)acetic aShow More⌵

Mol. Formula:
C20H25N3O6S

M.W.:
435.50

Type:
Small molecule

AlogP:
1.84

Polar Surface Area:
109.27

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3966654

Name:
2-(5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)-2-(propylcarbamoyl)phenShow More⌵

Mol. Formula:
C25H33N3O7S

M.W.:
519.62

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
125.48

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3963140

Name:
2-(5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)-2-(5-methyl-1,3,4-oxadiShow More⌵

Mol. Formula:
C24H28N4O7S

M.W.:
516.58

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
135.30

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3959547

Name:
2-(2-benzamido-5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)phenoxy)acetShow More⌵

Mol. Formula:
C28H31N3O7S

M.W.:
553.64

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
125.48

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3959289

Name:
2-(3-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)-5-(3-methoxyprop-1-ynylShow More⌵

Mol. Formula:
C25H30N2O7S

M.W.:
502.59

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
105.61

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3959030

Name:
2-(3-(furan-2-yl)-5-(4-(4-isopropoxyphenylsulfonyl)piperazin-1-yl)phenoxy)aShow More⌵

Mol. Formula:
C25H28N2O7S

M.W.:
500.57