Compounds

ALA5270629

Name:
7-((4-(4-Cyclopropylpiperazin-1-yl)phenyl)amino)-3-(2,6-dichlorophenyl)pyriShow More⌵

Mol. Formula:
C26H24Cl2N6O

M.W.:
507.43

Type:
---

AlogP:
5.12

Polar Surface Area:
66.29

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5270289

Name:
7-((4-(4-(Aminomethyl)piperidin-1-yl)phenyl)amino)-3-(2,6-dichlorophenyl)pyShow More⌵

Mol. Formula:
C25H24Cl2N6O

M.W.:
495.41

Type:
---

AlogP:
5.01

Polar Surface Area:
89.07

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5270087

Name:
3-(2,6-Dichlorophenyl)-7-((4-(4-(dimethylamino)piperidin-1-yl)phenyl)amino)Show More⌵

Mol. Formula:
C26H26Cl2N6O

M.W.:
509.44

Type:
---

AlogP:
5.36

Polar Surface Area:
66.29

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5270034

Name:
2-(6-(6-cyclopropyl-5-fluoro-2-((4-(4-(4-methylpiperazin-1-yl)piperidin-1-yShow More⌵

Mol. Formula:
C33H41FN8O

M.W.:
584.74

Type:
---

AlogP:
5.02

Polar Surface Area:
85.58

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5269524

Name:

Mol. Formula:
C25H30N8OS

M.W.:
490.64

Type:
---

AlogP:
3.98

Polar Surface Area:
91.54

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5282488

Name:
7-((3-((Cyclopropylamino)methyl)-4-((3S,5R)-3,5-dimethylpiperazin-1-yl)phenShow More⌵

Mol. Formula:
C29H31Cl2N7O

M.W.:
564.52

Type:
---

AlogP:
5.27

Polar Surface Area:
87.11

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5282382

Name:

Mol. Formula:
C27H31FN8OS

M.W.:
534.67

Type:
---

AlogP:
4.69

Polar Surface Area:
91.54

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5282168

Name:
3-(2-Chloro-6-fluorophenyl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyriShow More⌵

Mol. Formula:
C24H22ClFN6O

M.W.:
464.93

Type:
---

AlogP:
4.07

Polar Surface Area:
66.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5281848

Name:
3-(2,6-Dichlorophenyl)-7-((4-(4-ethylpiperazin-1-yl)phenyl)amino)pyrido[4,3Show More⌵

Mol. Formula:
C25H24Cl2N6O

M.W.:
495.41

Type:
---

AlogP:
4.97

Polar Surface Area:
66.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5281501

Name:
3-(2-Chloro-6-methylphenyl)-7-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyriShow More⌵

Mol. Formula:
C25H25ClN6O

M.W.:
460.97

Type:
---

AlogP:
4.24

Polar Surface Area:
66.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5281278

Name:
2-(6-(6-methyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-dShow More⌵

Mol. Formula:
C26H31N7O

M.W.:
457.58

Type:
---

AlogP:
3.85

Polar Surface Area:
82.34

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5280507

Name:
3-(2,6-Dichlorophenyl)-7-((4-(4-isopropylpiperazin-1-yl)phenyl)amino)pyridoShow More⌵

Mol. Formula:
C26H26Cl2N6O

M.W.:
509.44

Type:
---

AlogP:
5.36

Polar Surface Area:
66.29

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5280408

Name:
3-(2,6-Dichlorophenyl)-7-((4-((3S,5R)-3,5-dimethylpiperazin-1-yl)-3-(trifluShow More⌵

Mol. Formula:
C26H23Cl2F3N6O

M.W.:
563.41

Type:
---

AlogP:
6.04

Polar Surface Area:
75.08

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5280159

Name:
5-((3-(2,6-Dichlorophenyl)-4-oxo-3,4-dihydropyrido[4,3-d]pyrimidin-7-yl)amiShow More⌵

Mol. Formula:
C26H23Cl2N7O

M.W.:
520.42

Type:
---

AlogP:
4.89

Polar Surface Area:
98.87

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5279737

Name:
2-(6-(6-cyclopropyl-2-((4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)Show More⌵

Mol. Formula:
C33H42N8O

M.W.:
566.75

Type:
---

AlogP:
4.88

Polar Surface Area:
85.58

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5279297

Name:

Mol. Formula:
C32H43N9OS

M.W.:
601.82

Type:
---

AlogP:
5.09

Polar Surface Area:
94.78

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5279123

Name:

Mol. Formula:
C32H41N9OS

M.W.:
599.81

Type:
---

AlogP:
5.01

Polar Surface Area:
94.78

HBA:
10

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5279054

Name:
2-(6-(6-isopropyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,Show More⌵

Mol. Formula:
C28H35N7O

M.W.:
485.64

Type:
---

AlogP:
4.66

Polar Surface Area:
82.34

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5278751

Name:

Mol. Formula:
C27H34N8OS

M.W.:
518.69

Type:
---

AlogP:
4.79

Polar Surface Area:
91.54

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5278196

Name:
2-(6-(6-ethyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]Show More⌵

Mol. Formula:
C27H33N7O

M.W.:
471.61

Type:
---

AlogP:
4.10

Polar Surface Area:
82.34

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS