Compounds

ALA5267694

Name:
4-(2-amino-5-(3,4-difluorophenyl)-4-ethylpyridin-3-yl)phenol

Mol. Formula:
C19H16F2N2O

M.W.:
326.35

Type:
---

AlogP:
4.54

Polar Surface Area:
59.14

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5267629

Name:
5-((3,5-dichloropyridin-4-yl)thio)-N-(quinolin-3-yl)-1,3,4-thiadiazole-2-caShow More⌵

Mol. Formula:
C17H9Cl2N5OS2

M.W.:
434.33

Type:
---

AlogP:
5.19

Polar Surface Area:
80.66

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5267445

Name:
4-(2-amino-5-(3-aminophenyl)-4-ethylpyridin-3-yl)phenol

Mol. Formula:
C19H19N3O

M.W.:
305.38

Type:
---

AlogP:
3.85

Polar Surface Area:
85.16

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5267332

Name:
3-((1-(4-(ethyl(phenyl)amino)benzoyl)-4-hydroxypiperidin-4-yl)methyl)pyrrolShow More⌵

Mol. Formula:
C27H29N5O3

M.W.:
471.56

Type:
---

AlogP:
3.32

Polar Surface Area:
83.08

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5266972

Name:
3-((1-(3-(benzo[d][1,3]dioxol-5-yl)benzoyl)-4-hydroxypiperidin-4-yl)methyl)Show More⌵

Mol. Formula:
C26H24N4O5

M.W.:
472.50

Type:
---

AlogP:
2.56

Polar Surface Area:
98.30

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5266824

Name:
4-(2-amino-5-(3-(difluoromethyl)phenyl)-4-ethylpyridin-3-yl)phenol

Mol. Formula:
C20H18F2N2O

M.W.:
340.37

Type:
---

AlogP:
5.20

Polar Surface Area:
59.14

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5266703

Name:
4-(2-amino-5-(2-chlorophenyl)-4-ethylpyridin-3-yl)phenol

Mol. Formula:
C19H17ClN2O

M.W.:
324.81

Type:
---

AlogP:
4.92

Polar Surface Area:
59.14

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5266697

Name:
3-((1-(4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoyl)-4-hydroxypiperidin-Show More⌵

Mol. Formula:
C25H28N6O3

M.W.:
460.54

Type:
---

AlogP:
2.02

Polar Surface Area:
97.66

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5266544

Name:
(12bS,12'bS)-12b,12'b-dimethyl-2,2',3,3',6',12'b-hexahydro-1H,1'H-[9,10'-biShow More⌵

Mol. Formula:
C40H28O7

M.W.:
620.66

Type:
---

AlogP:
6.92

Polar Surface Area:
111.63

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5266368

Name:
3-((4-hydroxy-1-(4-(phenylthio)benzoyl)piperidin-4-yl)methyl)pyrrolo[2,1-f]Show More⌵

Mol. Formula:
C25H24N4O3S

M.W.:
460.56

Type:
---

AlogP:
3.31

Polar Surface Area:
79.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5266241

Name:
4-(6-amino-4-ethyl-5-(4-hydroxyphenyl)pyridin-3-yl)-N-cyclopropylbenzamide

Mol. Formula:
C23H23N3O2

M.W.:
373.46

Type:
---

AlogP:
4.16

Polar Surface Area:
88.24

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5266215

Name:
5-((3,5-dichloropyridin-4-yl)thio)-N-(3-oxo-2,3-dihydro-1H-inden-5-yl)-1,3,Show More⌵

Mol. Formula:
C17H10Cl2N4O2S2

M.W.:
437.33

Type:
---

AlogP:
4.77

Polar Surface Area:
84.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5282729

Name:
2-((3,5-dichloropyridin-4-yl)thio)-N-(1,1-dioxidobenzo[b]thiophen-6-yl)thiaShow More⌵

Mol. Formula:
C17H9Cl2N3O3S3

M.W.:
470.38

Type:
---

AlogP:
5.01

Polar Surface Area:
89.02

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5282678

Name:
5-((3,5-dichloropyridin-4-yl)thio)-N-(1,1-dioxidothiochroman-4-yl)-4-nitrotShow More⌵

Mol. Formula:
C19H13Cl2N3O5S3

M.W.:
530.44

Type:
---

AlogP:
5.16

Polar Surface Area:
119.27

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5282608

Name:
(2S,4aS,6aR,6bS,8aR,10R,12aS,12bR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptaShow More⌵

Mol. Formula:
C30H46O4

M.W.:
470.69

Type:
---

AlogP:
6.41

Polar Surface Area:
74.60

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5282551

Name:
5-((3,5-dichloropyridin-4-yl)thio)-N-(2-methylbenzo[d]thiazol-6-yl)-1,3,4-tShow More⌵

Mol. Formula:
C16H9Cl2N5OS3

M.W.:
454.39

Type:
---

AlogP:
5.56

Polar Surface Area:
80.66

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5282532

Name:
3-hydroxy-9-oxo-9H-indeno[1,2-b]pyrazine-2-carbonitrile

Mol. Formula:
C12H5N3O2

M.W.:
223.19

Type:
---

AlogP:
1.27

Polar Surface Area:
86.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5282527

Name:
3-((4-hydroxy-1-(4-(thiophen-2-ylmethyl)benzoyl)piperidin-4-yl)methyl)pyrroShow More⌵

Mol. Formula:
C24H24N4O3S

M.W.:
448.55

Type:
---

AlogP:
2.82

Polar Surface Area:
79.84

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5282006

Name:
4-((7-chloro-4-oxoquinazolin-3(4H)-yl)methyl)-1-(3-phenylpropanoyl)piperidiShow More⌵

Mol. Formula:
C24H23ClN4O2

M.W.:
434.93

Type:
---

AlogP:
3.82

Polar Surface Area:
78.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5281781

Name:
4-(2-amino-4-ethyl-5-(2-methyl-2H-indazol-4-yl)pyridin-3-yl)phenol

Mol. Formula:
C21H20N4O

M.W.:
344.42

Type:
---

AlogP:
4.15

Polar Surface Area:
76.96

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS