Compounds

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
93.95

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA51706

Name:
6-[(2,4,6-Trichloro-phenylamino)-methyl]-pyrido[3,2-d]pyrimidine-2,4-diaminShow More⌵

Mol. Formula:
C14H11Cl3N6

M.W.:
369.64

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
102.74

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA52930

Name:
6-{[Methyl-(2,4,6-trichloro-phenyl)-amino]-methyl}-pyrido[3,2-d]pyrimidine-Show More⌵

Mol. Formula:
C15H13Cl3N6

M.W.:
383.67

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
93.95

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA55656

Name:
6-(Naphthalen-1-ylsulfanylmethyl)-pyrido[3,2-d]pyrimidine-2,4-diamine

Mol. Formula:
C18H15N5S

M.W.:
333.42

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
90.71

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA292143

Name:
6-(Naphthalen-2-ylsulfanylmethyl)-pyrido[3,2-d]pyrimidine-2,4-diamine

Mol. Formula:
C18H15N5S

M.W.:
333.42

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
90.71

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA54538

Name:
6-[(Methyl-naphthalen-1-yl-amino)-methyl]-pyrido[3,2-d]pyrimidine-2,4-diamiShow More⌵

Mol. Formula:
C19H18N6

M.W.:
330.39

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
93.95

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA417746

Name:
6-(Naphthalen-2-ylaminomethyl)-pyrido[3,2-d]pyrimidine-2,4-diamine

Mol. Formula:
C18H16N6

M.W.:
316.37

Type:
Small molecule

AlogP:
2.95

Polar Surface Area:
102.74

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA55727

Name:
6-[(Methyl-naphthalen-2-yl-amino)-methyl]-pyrido[3,2-d]pyrimidine-2,4-diamiShow More⌵

Mol. Formula:
C19H18N6

M.W.:
330.40

Type:
Small molecule

AlogP:
2.98

Polar Surface Area:
93.95

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA301795

Name:
1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-phenyl}-ethanoShow More⌵

Mol. Formula:
C16H16N6O

M.W.:
308.35

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
119.81

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA55012

Name:
1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmethyl)-methyl-amino]-phenyl}Show More⌵

Mol. Formula:
C17H18N6O

M.W.:
322.37

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
111.02

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA55049

Name:
1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmethyl)-methyl-amino]-phenyl}Show More⌵

Mol. Formula:
C17H15F3N6O

M.W.:
376.34

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
111.02

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA52953

Name:
1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmethyl)-prop-2-ynyl-amino]-phShow More⌵

Mol. Formula:
C19H18N6O

M.W.:
346.39

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
111.02

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA53318

Name:
6-{[(2-Chloro-phenyl)-methyl-amino]-methyl}-pyrido[3,2-d]pyrimidine-2,4-diaShow More⌵

Mol. Formula:
C15H15ClN6

M.W.:
314.78

Type:
Small molecule

AlogP:
2.48

Polar Surface Area:
93.95

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA52836

Name:
6-[(3-Methoxy-phenylamino)-methyl]-pyrido[3,2-d]pyrimidine-2,4-diamine

Mol. Formula:
C15H16N6O

M.W.:
296.33

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
111.97

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA52777

Name:
6-[(4-Methoxy-phenylamino)-methyl]-pyrido[3,2-d]pyrimidine-2,4-diamine

Mol. Formula:
C15H16N6O

M.W.:
296.33

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
111.97

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA53872

Name:
1-{4-[(2,4-Diamino-pyrido[3,2-d]pyrimidin-6-ylmethyl)-prop-2-ynyl-amino]-phShow More⌵

Mol. Formula:
C19H15F3N6O

M.W.:
400.36

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
111.02

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA53974

Name:
6-{[(2-Methoxy-phenyl)-methyl-amino]-methyl}-pyrido[3,2-d]pyrimidine-2,4-diShow More⌵

Mol. Formula:
C16H18N6O

M.W.:
310.36

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
103.18

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA54913

Name:
6-[(2,6-Dichloro-phenylamino)-methyl]-pyrido[3,2-d]pyrimidine-2,4-diamine

Mol. Formula:
C14H12Cl2N6

M.W.:
335.20

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
102.74

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA292427

Name:
6-[(3,4-Dichloro-phenylamino)-methyl]-pyrido[3,2-d]pyrimidine-2,4-diamine

Mol. Formula:
C14H12Cl2N6

M.W.:
335.20

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
102.74

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA301105

Name:
6-{[(2,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-pyrido[3,2-d]pyrimidine-2,Show More⌵

Mol. Formula:
C17H20N6O2

M.W.:
340.39