Compounds

Type:
Unknown

AlogP:
6.12

Polar Surface Area:
58.95

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4536623

Name:
1-(5-tert-Butyl-2-p-fluoro-phenyl)-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea

Mol. Formula:
C20H20ClFN4O

M.W.:
386.86

Type:
Unknown

AlogP:
5.61

Polar Surface Area:
58.95

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4466649

Name:
1-(5-tert-Butyl-2-o-chloro-phenyl)-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea

Mol. Formula:
C20H20Cl2N4O

M.W.:
403.31

Type:
Unknown

AlogP:
6.12

Polar Surface Area:
58.95

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4456735

Name:
1-(5-tert-Butyl-2-o-fluoro-phenyl)-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea

Mol. Formula:
C20H20ClFN4O

M.W.:
386.86

Type:
Unknown

AlogP:
5.61

Polar Surface Area:
58.95

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4454979

Name:
1-(5-tert-Butyl-2-o-methoxy-phenyl)-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea

Mol. Formula:
C21H23ClN4O2

M.W.:
398.89

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
68.18

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4453392

Name:
1-(5-tert-Butyl-2-o-tolyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea

Mol. Formula:
C21H23ClN4O

M.W.:
382.89

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
58.95

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4444555

Name:
1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)-urea

Mol. Formula:
C21H23ClN4O

M.W.:
382.89

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
58.95

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4438989

Name:
1-(5-tert-Butyl-2-p-methoxy-phenyl)-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea

Mol. Formula:
C21H23ClN4O2

M.W.:
398.89

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
68.18

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3669125

Name:
US9115122, SF-2-062

Mol. Formula:
C22H22N2O4S2

M.W.:
442.56

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
78.87

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3669122

Name:
US9115122, 76.3

Mol. Formula:
C13H12N2O3S2

M.W.:
308.38

3 unique targets

Type:
Small molecule

AlogP:
1.58

Polar Surface Area:
64.79

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3669120

Name:
US9115122, 76

Mol. Formula:
C14H16N2O2S2

M.W.:
308.43

3 unique targets

Type:
Small molecule

AlogP:
2.25

Polar Surface Area:
55.56

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2111784

Name:
4-{4-(4-Fluoro-phenyl)-5-[2-((S)-1-phenyl-ethylamino)-pyridin-4-yl]-thiazolShow More⌵

Mol. Formula:
C28H29FN4S

M.W.:
472.63

26 activity values

21 unique targets

Type:
Small molecule

AlogP:
6.99

Polar Surface Area:
41.05

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2088591

Name:
2-(2,4-difluorophenoxy)-5-(2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyShow More⌵

Mol. Formula:
C24H16F2N4O4

M.W.:
462.41

20 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
91.75

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2088590

Name:
N-cyclopropyl-3-(2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-Show More⌵

Mol. Formula:
C25H19F2N3O4

M.W.:
463.44

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
81.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2088589

Name:
3-(2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl)-4-methoxy-Show More⌵

Mol. Formula:
C25H21F2N3O4

M.W.:
465.46

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
81.93

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2088588

Name:
methyl 3-(2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl)-4-mShow More⌵

Mol. Formula:
C23H16F2N2O5

M.W.:
438.39

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
79.13

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2088587

Name:
2-(2,4-difluorophenoxy)-5-(2-methoxyphenyl)-6H-pyrido[1,2-b]pyridazin-6-one

Mol. Formula:
C21H14F2N2O3

M.W.:
380.35