Compounds

Type:
---

AlogP:
0.51

Polar Surface Area:
132.70

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5197107

Name:
(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)phenyl)(piperidin-1-yl)Show More⌵

Mol. Formula:
C20H24N8O

M.W.:
392.47

Type:
---

AlogP:
1.85

Polar Surface Area:
127.15

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5205559

Name:
propyl 1-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)piperiShow More⌵

Mol. Formula:
C24H30N8O3

M.W.:
478.56

Type:
---

AlogP:
2.03

Polar Surface Area:
153.45

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5205037

Name:
6-(((4-(4-methoxyphenoxy)benzyl)amino)methyl)pteridine-2,4-diamine

Mol. Formula:
C21H21N7O2

M.W.:
403.45

Type:
---

AlogP:
2.67

Polar Surface Area:
134.09

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5204239

Name:
4-(((2,4-diaminopteridin-6-yl)methyl)amino)-N-phenethylbenzamide

Mol. Formula:
C22H22N8O

M.W.:
414.47

Type:
---

AlogP:
2.17

Polar Surface Area:
144.73

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5201599

Name:
6-(((4-phenoxybenzyl)amino)methyl)pteridine-2,4-diamine

Mol. Formula:
C20H19N7O

M.W.:
373.42

Type:
---

AlogP:
2.67

Polar Surface Area:
124.86

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5201183

Name:
(4-(((2,4-diaminopteridin-6-yl)methyl)(ethyl)amino)phenyl)(phenyl)methanone

Mol. Formula:
C22H21N7O

M.W.:
399.46

21 activity values

Type:
---

AlogP:
2.84

Polar Surface Area:
123.91

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5200612

Name:
1-(2-(4-(((2,4-diaminopteridin-6-yl)methyl)(3-hydroxypropyl)amino)phenyl)acShow More⌵

Mol. Formula:
C23H29N9O3

M.W.:
479.55

20 activity values

Type:
---

AlogP:
-0.01

Polar Surface Area:
190.47

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5199171

Name:
ethyl 1-(4-(((2,4-diaminopteridin-6-yl)methyl)(ethyl)amino)benzoyl)piperidiShow More⌵

Mol. Formula:
C24H30N8O3

M.W.:
478.56

20 activity values

Type:
---

AlogP:
2.03

Polar Surface Area:
153.45

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5208403

Name:
4-((((2,4-diaminopteridin-6-yl)methyl)amino)methyl)-N-(4-methoxybenzyl)benzShow More⌵

Mol. Formula:
C23H24N8O2

M.W.:
444.50

Type:
---

AlogP:
1.81

Polar Surface Area:
153.96

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5206994

Name:
ethyl 1-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)piperidShow More⌵

Mol. Formula:
C23H28N8O3

M.W.:
464.53

Type:
---

AlogP:
1.64

Polar Surface Area:
153.45

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5193762

Name:
6-((benzyl(4-(4-methoxyphenoxy)benzyl)amino)methyl)pteridine-2,4-diamine

Mol. Formula:
C28H27N7O2

M.W.:
493.57

21 activity values

Type:
---

AlogP:
4.59

Polar Surface Area:
125.30

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5193564

Name:
methyl 1-(4-(((2,4-diaminopteridin-6-yl)methyl)(prop-2-yn-1-yl)amino)benzoyShow More⌵

Mol. Formula:
C24H26N8O3

M.W.:
474.53

Type:
---

AlogP:
1.25

Polar Surface Area:
153.45

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5188304

Name:
1-(2-(4-(((2,4-diaminopteridin-6-yl)methyl)(3-hydroxypropyl)amino)phenyl)acShow More⌵

Mol. Formula:
C24H31N9O3

M.W.:
493.57

20 activity values

Type:
---

AlogP:
0.24

Polar Surface Area:
190.47

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5184936

Name:
methyl 1-(4-(benzyl((2,4-diaminopteridin-6-yl)methyl)amino)benzoyl)piperidiShow More⌵

Mol. Formula:
C28H30N8O3

M.W.:
526.60

Type:
---

AlogP:
2.82

Polar Surface Area:
153.45

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5184646

Name:
6-(((4-(4-methoxyphenoxy)benzyl)(methyl)amino)methyl)pteridine-2,4-diamine

Mol. Formula:
C22H23N7O2

M.W.:
417.47

21 activity values

Type:
---

AlogP:
3.02

Polar Surface Area:
125.30

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5183748

Name:
methyl 1-(2-(4-(((2,4-diaminopteridin-6-yl)methyl)amino)phenyl)acetyl)piperShow More⌵

Mol. Formula:
C22H26N8O3

M.W.:
450.50

Type:
---

AlogP:
1.15

Polar Surface Area:
162.24

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5182291

Name:
ethyl (4-(((2,4-diaminopteridin-6-yl)methyl)amino)benzoyl)prolinate

Mol. Formula:
C21H24N8O3

M.W.:
436.48

16 activity values

Type:
---

AlogP:
1.36

Polar Surface Area:
162.24

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5182125

Name:
methyl 1-(6-(((2,4-diaminopteridin-6-yl)methyl)thio)nicotinoyl)piperidine-4Show More⌵

Mol. Formula:
C20H22N8O3S

M.W.:
454.52

Type:
---

AlogP:
1.30

Polar Surface Area:
163.10

HBA:
11

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5180685

Name:
6-(((4-(3,4,5-trimethoxyphenoxy)benzyl)amino)methyl)pteridine-2,4-diamine

Mol. Formula:
C23H25N7O4

M.W.:
463.50