Compounds

Type:
Unknown

AlogP:
0.63

Polar Surface Area:
133.49

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4571643

Name:
N-4-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine

Mol. Formula:
C12H18N6S

M.W.:
278.38

Type:
Unknown

AlogP:
1.70

Polar Surface Area:
102.74

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4536077

Name:
(5-(1-(6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperidin-4-yl)-1H-pyrazoShow More⌵

Mol. Formula:
C19H26N6O2

M.W.:
370.46

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
98.24

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4524342

Name:
5-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-4,5,6,7-tetrahydrothiazolo[5,Show More⌵

Mol. Formula:
C14H18N6S

M.W.:
302.41

4 activity values

Type:
Unknown

AlogP:
1.54

Polar Surface Area:
93.95

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4472023

Name:
(5-(1-(2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperidin-4-yl)-1H-pyrazoShow More⌵

Mol. Formula:
C18H21N7O2

M.W.:
367.41

Type:
Unknown

AlogP:
1.70

Polar Surface Area:
112.82

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4469314

Name:
N-4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5-ethyl-6-methylpyrimidine-2,4-diamShow More⌵

Mol. Formula:
C12H18N6S

M.W.:
278.38

Type:
Unknown

AlogP:
1.62

Polar Surface Area:
102.74

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4461631

Name:
N-4-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-dShow More⌵

Mol. Formula:
C13H18N6S

M.W.:
290.40

Type:
Unknown

AlogP:
1.63

Polar Surface Area:
102.74

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4453325

Name:
4-ethyl-5-methyl-6-[2-(morpholino-4-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2Show More⌵

Mol. Formula:
C17H29N5O2

M.W.:
335.45

Type:
Unknown

AlogP:
0.86

Polar Surface Area:
76.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA3746335

Name:
3-[4-(1H-Imidazol-4-yl)phenyl]-N-(9H-purin-6-yl)benzamide

Mol. Formula:
C21H15N7O

M.W.:
381.40

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
112.24

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3747387

Name:
3-[3-(1H-Imidazol-4-yl)phenyl]-N-(9H-purin-6-yl)benzamide

Mol. Formula:
C21H15N7O

M.W.:
381.40

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
112.24

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3747188

Name:
2-[4-(1H-Imidazol-4-yl)phenyl]-N-(9H-purin-6-yl)benzamide

Mol. Formula:
C21H15N7O

M.W.:
381.40

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
112.24

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3746949

Name:
2-[3-(1H-Imidazol-4-yl)phenyl]-N-(9H-purin-6-yl)benzamide

Mol. Formula:
C21H15N7O

M.W.:
381.40

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
112.24

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3746742

Name:
3-(4-Imidazol-1-ylphenyl)-N-(9H-purin-6-yl)benzamide

Mol. Formula:
C21H15N7O

M.W.:
381.40

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
101.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3746692

Name:
3-(3-Imidazol-1-ylphenyl)-N-(9H-purin-6-yl)benzamide

Mol. Formula:
C21H15N7O

M.W.:
381.40

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
101.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3745932

Name:
2-(4-Imidazol-1-ylphenyl)-N-(9H-purin-6-yl)benzamide

Mol. Formula:
C21H15N7O

M.W.:
381.40

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
101.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3747589

Name:
2-(3-Imidazol-1-ylphenyl)-N-(9H-purin-6-yl)benzamide

Mol. Formula:
C21H15N7O

M.W.:
381.40

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
101.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3747651

Name:
N-(9H-Purin-6-yl)-4-(4-pyrrol-1-ylphenyl)benzamide

Mol. Formula:
C22H16N6O

M.W.:
380.41

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
88.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3745997

Name:
N-(9H-Purin-6-yl)-4-(3-pyrrol-1-ylphenyl)benzamide

Mol. Formula:
C22H16N6O

M.W.:
380.41

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
88.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3746614

Name:
N-(9H-Purin-6-yl)-3-(4-pyrrol-1-ylphenyl)benzamide

Mol. Formula:
C22H16N6O

M.W.:
380.41

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
88.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3746624

Name:
N-(9H-Purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide

Mol. Formula:
C22H16N6O

M.W.:
380.41