Compounds

Type:
---

AlogP:
5.40

Polar Surface Area:
88.33

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5208382

Name:
N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridyl]-2-(2-chloro-3-fluoro-pheShow More⌵

Mol. Formula:
C22H16ClFN4O3

M.W.:
438.85

Type:
---

AlogP:
4.88

Polar Surface Area:
88.33

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5204261

Name:
N-((2-bromo-4-isopropyl-phenyl)carbamothioyl)adamantane-1-carboxamide

Mol. Formula:
C21H27BrN2OS

M.W.:
435.43

13 activity values

7 unique targets

Type:
---

AlogP:
5.60

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5204109

Name:
N-[2-[acetyl-(3-fluoro-4-pyridyl)amino]-4-pyridyl]-2-(2,6-dichlorophenyl)acShow More⌵

Mol. Formula:
C20H15Cl2FN4O2

M.W.:
433.27

Type:
---

AlogP:
4.79

Polar Surface Area:
75.19

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5188664

Name:
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridyl]-2-(2,6-dichloropShow More⌵

Mol. Formula:
C22H17Cl2N5O2

M.W.:
454.32

Type:
---

AlogP:
4.90

Polar Surface Area:
79.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5180532

Name:
N-[2-[acetyl(1,3-benzothiazol-6-yl)amino]-4-pyridyl]-2-(2-chlorophenyl)acetShow More⌵

Mol. Formula:
C22H17ClN4O2S

M.W.:
436.92

Type:
---

AlogP:
5.21

Polar Surface Area:
75.19

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5178725

Name:
N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridyl]-2-(2-chlorophenyl)acetamShow More⌵

Mol. Formula:
C22H17ClN4O3

M.W.:
420.86

Type:
---

AlogP:
4.74

Polar Surface Area:
88.33

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4593104

Name:
rac-N-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-(2-chlorophenyl)-propanamidShow More⌵

Mol. Formula:
C21H18Cl2N2O4S

M.W.:
465.36

Type:
Unknown

AlogP:
5.18

Polar Surface Area:
98.49

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4589444

Name:
2-(2-Chlorophenyl)-N-[4-(cyclobutylmethoxy)-3-sulfamoylphenyl]acetamide

Mol. Formula:
C19H21ClN2O4S

M.W.:
408.91

Type:
Unknown

AlogP:
3.35

Polar Surface Area:
98.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4579675

Name:
N-[4-(3-Acetamidophenoxy)-3-sulfamoylphenyl]-2-(2-chlorophenyl)acetamide

Mol. Formula:
C22H20ClN3O5S

M.W.:
473.94

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
127.59

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4579583

Name:
2-(2-Chlorophenyl)-N-[4-(3-methoxyphenoxy)-3-sulfamoylphenyl]acetamide

Mol. Formula:
C21H19ClN2O5S

M.W.:
446.91

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
107.72

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4577125

Name:
2-(2-Chlorophenyl)-N-{4-[2-(2-hydroxypropan-2-yl)phenoxy]-3-sulfamoylphenylShow More⌵

Mol. Formula:
C23H23ClN2O5S

M.W.:
474.97

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
118.72

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4570116

Name:
N-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-[4-(trifluoromethyl)phenyl]acetShow More⌵

Mol. Formula:
C21H16ClF3N2O4S

M.W.:
484.88

Type:
Unknown

AlogP:
4.98

Polar Surface Area:
98.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4569107

Name:
2-(2-Chlorophenyl)-N-{4-[4-(3-oxomorpholin-4-yl)phenoxy]-3-sulfamoylphenyl}Show More⌵

Mol. Formula:
C24H22ClN3O6S

M.W.:
515.98

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
128.03

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4563994

Name:
2-(2-Chlorophenyl)-N-[4-(2-phenylethoxy)-3-sulfamoylphenyl]-acetamide

Mol. Formula:
C22H21ClN2O4S

M.W.:
444.94

Type:
Unknown

AlogP:
3.79

Polar Surface Area:
98.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4561582

Name:
2-(2-Chlorophenyl)-N-{3-sulfamoyl-4-[4-(tetrahydrofuran-3-yl)-phenoxy]phenyShow More⌵

Mol. Formula:
C24H23ClN2O5S

M.W.:
486.98

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
107.72

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4557633

Name:
1-(2-chlorophenyl)-N-[4-(2,4-dioxo-1H-benzo[i][1,5]benzodiazepin-5-yl)phenyShow More⌵

Mol. Formula:
C26H20ClN3O4S

M.W.:
505.98

Type:
Unknown

AlogP:
5.44

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4556573

Name:
2-(2-Chlorophenyl)-N-(4-phenoxy-3-sulfamoylphenyl)acetamide

Mol. Formula:
C20H17ClN2O4S

M.W.:
416.89

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
98.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4555657

Name:
2-(2-Chloro-6-fluorophenyl)-N-[3-sulfamoyl-4-(tetrahydro-2H-pyran-4-ylmethoShow More⌵

Mol. Formula:
C20H22ClFN2O5S

M.W.:
456.92

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
107.72

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4541425

Name:
2-(2-Chlorophenyl)-N-[4-(pyridin-3-yloxy)-3-sulfamoylphenyl]-acetamide

Mol. Formula:
C19H16ClN3O4S

M.W.:
417.87