Compounds

ALA5266595

Name:
6-(2,6-dichlorophenyl)-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-Show More⌵

Mol. Formula:
C26H26Cl2N6O

M.W.:
509.44

Type:
---

AlogP:
5.28

Polar Surface Area:
66.29

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5266147

Name:
2-cyclopentyl-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperShow More⌵

Mol. Formula:
C29H36N8O2

M.W.:
528.66

Type:
---

AlogP:
3.82

Polar Surface Area:
104.34

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5266086

Name:
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-methyl-6-{[4-(4-methylpiperazin-Show More⌵

Mol. Formula:
C25H30N8O2

M.W.:
474.57

Type:
---

AlogP:
2.24

Polar Surface Area:
104.34

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5265766

Name:
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenShow More⌵

Mol. Formula:
C29H31N9O2

M.W.:
537.63

Type:
---

AlogP:
3.08

Polar Surface Area:
117.23

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5281815

Name:
2-(cyclohex-2-en-1-yl)-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(1-meShow More⌵

Mol. Formula:
C31H37N7O2

M.W.:
539.68

Type:
---

AlogP:
5.04

Polar Surface Area:
101.10

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5281562

Name:
(E)-2-cyano-2-((Z)-3-ethyl-4-oxo-5-(((3-(2-(pyrrolidin-1-yl)ethyl)phenyl)amShow More⌵

Mol. Formula:
C22H24F3N5O2S

M.W.:
479.53

Type:
---

AlogP:
1.73

Polar Surface Area:
90.16

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5280668

Name:
6-{[4-(1,4-dimethylpiperidin-4-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)Show More⌵

Mol. Formula:
C29H35N7O2

M.W.:
513.65

Type:
---

AlogP:
4.12

Polar Surface Area:
101.10

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5280383

Name:
2-benzyl-9-butyl-7-((4-fluorobenzyl)oxy)-1-methyl-9H-pyrido[3,4-b]indol-2-iShow More⌵

Mol. Formula:
C30H30BrFN2O

M.W.:
533.49

Type:
---

AlogP:
6.96

Polar Surface Area:
18.04

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5280254

Name:
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(3-methylphenyl)-6-{[4-(4-methylShow More⌵

Mol. Formula:
C31H34N8O2

M.W.:
550.67

Type:
---

AlogP:
4.00

Polar Surface Area:
104.34

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5280227

Name:
6-(2,6-dichlorophenyl)-2-[(4,4-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)Show More⌵

Mol. Formula:
C24H21Cl2N5O

M.W.:
466.37

Type:
---

AlogP:
5.21

Polar Surface Area:
71.84

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5280012

Name:
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenShow More⌵

Mol. Formula:
C24H28N8O2

M.W.:
460.54

Type:
---

AlogP:
2.23

Polar Surface Area:
115.20

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5277833

Name:
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenShow More⌵

Mol. Formula:
C31H31F3N8O3

M.W.:
620.64

Type:
---

AlogP:
4.59

Polar Surface Area:
113.57

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5277502

Name:
1-[6-(1-Hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-ylShow More⌵

Mol. Formula:
C27H34N8O2

M.W.:
502.62

Type:
---

AlogP:
3.11

Polar Surface Area:
104.34

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5277202

Name:
2-cyclohexyl-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperaShow More⌵

Mol. Formula:
C30H38N8O2

M.W.:
542.69

Type:
---

AlogP:
4.21

Polar Surface Area:
104.34

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5276995

Name:
N-((1s,4S)-4-(4-(cyclopropylmethyl)piperazin-1-yl)cyclohexyl)-4-(((R)-7-ethShow More⌵

Mol. Formula:
C34H50N8O3

M.W.:
618.83

Type:
---

AlogP:
4.27

Polar Surface Area:
106.17

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5276665

Name:
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(2-methylphenyl)-6-{[4-(4-methylShow More⌵

Mol. Formula:
C31H34N8O2

M.W.:
550.67

Type:
---

AlogP:
4.00

Polar Surface Area:
104.34

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5275152

Name:
1-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-[(2-methyl-1,2,3,4-tetrahydroisoShow More⌵

Mol. Formula:
C27H30N6O2

M.W.:
470.58

Type:
---

AlogP:
3.73

Polar Surface Area:
88.21

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5274503

Name:
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(2-methoxyphenyl)-6-{[4-(4-methyShow More⌵

Mol. Formula:
C31H34N8O3

M.W.:
566.67

Type:
---

AlogP:
3.70

Polar Surface Area:
113.57

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5274253

Name:
2-(cyclohex-2-en-1-yl)-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-meShow More⌵

Mol. Formula:
C30H36N8O2

M.W.:
540.67

Type:
---

AlogP:
3.98

Polar Surface Area:
104.34

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5273365

Name:
3-{1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)pShow More⌵

Mol. Formula:
C31H31N9O2

M.W.:
561.65

Type:
---

AlogP:
3.56

Polar Surface Area:
128.13

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS