Compounds

4 unique targets

Type:
Unknown

AlogP:
4.56

Polar Surface Area:
28.40

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4864278

Name:
NA

Mol. Formula:
C19H22Cl2N2O

M.W.:
365.30

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
37.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4863041

Name:
8-bromo-2-(cyclohexanecarbonyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoqShow More⌵

Mol. Formula:
C19H23BrN2O2

M.W.:
391.31

1 unique targets

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4852694

Name:
6-decoxy-N-[2-(diethylamino)ethyl]-7-ethoxy-4-hydroxy-quinoline-3-carboxamiShow More⌵

Mol. Formula:
C28H45N3O4

M.W.:
487.69

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
83.92

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4294596

Name:
(2-nitro-4-((1-(3-(trifluoromethyl)benzyl)piperidin-3-yl)amino)phenyl)methaShow More⌵

Mol. Formula:
C20H22F3N3O3

M.W.:
409.41

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
78.64

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4294326

Name:
O-(4-Hydroxyphenyl)(4-((4-(trichloromethyl)phenoxy)-phenyl)carbamothioate

Mol. Formula:
C20H14Cl3NO3S

M.W.:
454.76

25 activity values

Type:
Small molecule

AlogP:
6.79

Polar Surface Area:
50.72

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4292678

Name:
(4-((1-(2,4-dichlorobenzyl)pyrrolidin-3-yl)amino)-2-nitrophenyl)methanol

Mol. Formula:
C18H19Cl2N3O3

M.W.:
396.27

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
78.64

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4291617

Name:
(2-nitro-4-((1-(4-(trifluoromethoxy)benzyl)pyrrolidin-3-yl)amino)phenyl)metShow More⌵

Mol. Formula:
C19H20F3N3O4

M.W.:
411.38

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
87.87

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4290937

Name:
O-(4-Hydroxyphenyl)(4-((4-(trichloromethyl)phenyl)thio)-phenyl)carbamothioaShow More⌵

Mol. Formula:
C20H14Cl3NO2S2

M.W.:
470.83

Type:
Small molecule

AlogP:
7.15

Polar Surface Area:
41.49

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4289600

Name:
O-(4-Hydroxyphenyl)(4-((4-nitrophenyl)amino)phenyl)-carbamothioate

Mol. Formula:
C19H15N3O4S

M.W.:
381.41

26 activity values

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
96.66

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4289263

Name:
(2-nitro-4-((1-(2-(trifluoromethoxy)benzyl)piperidin-3-yl)amino)phenyl)methShow More⌵

Mol. Formula:
C20H22F3N3O4

M.W.:
425.41

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
87.87

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4288208

Name:
(2-nitro-4-((1-(3-(trifluoromethoxy)benzyl)pyrrolidin-3-yl)amino)phenyl)metShow More⌵

Mol. Formula:
C19H20F3N3O4

M.W.:
411.38

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
87.87

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4287648

Name:
O-(4-Hydroxyphenyl)(4-((4-(trifluoromethyl)phenyl)amino)-phenyl)carbamothioShow More⌵

Mol. Formula:
C20H15F3N2O2S

M.W.:
404.41

26 activity values

Type:
Small molecule

AlogP:
5.93

Polar Surface Area:
53.52

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4287508

Name:
O-(4-Hydroxyphenyl)(4-((4-(trifluoromethyl)phenyl)thio)-phenyl)carbamothioaShow More⌵

Mol. Formula:
C20H14F3NO2S2

M.W.:
421.47

Type:
Small molecule

AlogP:
6.34

Polar Surface Area:
41.49

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4286814

Name:
(2-nitro-4-((1-(4-(trifluoromethoxy)benzyl)piperidin-4-yl)amino)phenyl)methShow More⌵

Mol. Formula:
C20H22F3N3O4

M.W.:
425.41

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
87.87

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4286696

Name:
(2-nitro-4-((1-(2-(trifluoromethyl)benzyl)piperidin-4-yl)amino)phenyl)methaShow More⌵

Mol. Formula:
C20H22F3N3O3

M.W.:
409.41

Type:
Small molecule

AlogP:
4.18

Polar Surface Area:
78.64

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4286277

Name:
O-(4-Hydroxyphenyl)(4-(4-(trifluoromethyl)phenoxy)-phenyl)carbamothioate

Mol. Formula:
C20H14F3NO3S

M.W.:
405.40

26 activity values

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
50.72

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4285680

Name:
O-(4-Acetamidophenyl)(4-((4-(trichloromethyl)phenyl)thio)phenyl)carbamothioShow More⌵

Mol. Formula:
C22H17Cl3N2O2S2

M.W.:
511.88

Type:
Small molecule

AlogP:
7.40

Polar Surface Area:
50.36

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4284139

Name:
O-(4-Hydroxyphenyl)(4-((4-(trichloromethyl)phenyl)-amino)phenyl)carbamothioShow More⌵

Mol. Formula:
C20H15Cl3N2O2S

M.W.:
453.78

17 activity values

Type:
Small molecule

AlogP:
6.74

Polar Surface Area:
53.52

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4283752

Name:
O-(4-Acetamidophenyl)(4-((4-(trichloromethyl)phenyl)-amino)phenyl)carbamothShow More⌵

Mol. Formula:
C22H18Cl3N3O2S

M.W.:
494.83