Compounds

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
99.61

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4476075

Name:
5-(3-Hydroxy-1-propyl)thio-3-isopropyl-7-[4-(2-pyr
Show More⌵

Mol. Formula:
C23H26N6OS

M.W.:
434.57

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
99.61

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4540226

Name:
5-(2-Amino-1-ethyl)thio-3-isopropyl-7-[4-(2-pyridy
Show More⌵

Mol. Formula:
C22H25N7S

M.W.:
419.56

141 activity values

35 unique targets

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
105.40

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4524274

Name:
5-(3-Hydroxy-2-butyl)thio-3-isopropyl-7-[4-(2-pyri
Show More⌵

Mol. Formula:
C24H28N6OS

M.W.:
448.60

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
99.61

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4524174

Name:
5-(2-Guanidino-1-ethyl)thio-3-isopropyl-7-[4-(2-py
Show More⌵

Mol. Formula:
C23H27N9S

M.W.:
461.60

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
141.28

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4520596

Name:
5-(Methoxymethyl)thio-3-isopropyl-7-[4-(2-pyridyl)
Show More⌵

Mol. Formula:
C22H24N6OS

M.W.:
420.54

Type:
Unknown

AlogP:
4.85

Polar Surface Area:
88.61

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4535735

Name:
5-(2-Hydroxycyclopentyl)thio-3-isopropyl-7-[4-(2-p
Show More⌵

Mol. Formula:
C25H28N6OS

M.W.:
460.61

Type:
Unknown

AlogP:
5.16

Polar Surface Area:
99.61

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4534893

Name:
5-(1-Hydroxy-3-methyl-2-buthyl)thio-3-isopropyl-7-
Show More⌵

Mol. Formula:
C25H30N6OS

M.W.:
462.62

Type:
Unknown

AlogP:
5.26

Polar Surface Area:
99.61

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4559997

Name:
5-[3-(Dimethylamino)-1-propyl]thio-3-Isopropyl-7-[
Show More⌵

Mol. Formula:
C25H31N7S

M.W.:
461.64

Type:
Unknown

AlogP:
5.19

Polar Surface Area:
82.62

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4557625

Name:
5[3-(4-Morpholinyl)-2-hydroxy-1-propyl]thio-3-Isop
Show More⌵

Mol. Formula:
C27H33N7O2S

M.W.:
519.68

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
112.08

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4555088

Name:
5-(2-Hydroxy-1-propyl)thio-3-isopropyl-7-[4-(2-pyr
Show More⌵

Mol. Formula:
C23H26N6OS

M.W.:
434.57

Type:
Unknown

AlogP:
4.62

Polar Surface Area:
99.61

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4548100

Name:
5-(2-Aminocyclohexyl)thio-3-isopropyl-7-[4-(2-pyri
Show More⌵

Mol. Formula:
C26H31N7S

M.W.:
473.65

Type:
Unknown

AlogP:
5.51

Polar Surface Area:
105.40

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4745418

Name:
8-Cyclohexyl-6-(3-hydroxypropyl)imidazo[1,2-c]pyri
Show More⌵

Mol. Formula:
C15H21N3O2

M.W.:
275.35

Type:
Unknown

AlogP:
1.93

Polar Surface Area:
59.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA4744723

Name:
8-(Cyclopent-1-en-1-yl)imidazo[1,2-c]pyrimidin-5(6
Show More⌵

Mol. Formula:
C11H11N3O

M.W.:
201.23

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
50.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA4743559

Name:
6-(phenethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl
Show More⌵

Mol. Formula:
C22H16N4O3S

M.W.:
416.46

Type:
Unknown

AlogP:
4.65

Polar Surface Area:
93.90

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4743433

Name:
3-Bromo-8-phenylimidazo[1,2-c]pyrimidin-5(6H)-one

Mol. Formula:
C12H8BrN3O

M.W.:
290.12

Type:
Unknown

AlogP:
2.45

Polar Surface Area:
50.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA4742111

Name:
8-[4-(5-Oxo-5,6-dihydroimidazo[1,2-c]pyrimidin-8-y
Show More⌵

Mol. Formula:
C18H14Cl2N6O2

M.W.:
417.26

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
100.32

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4742100

Name:
8-(Thiophen-3-yl)imidazo[1,2-c]pyrimidin-5(6H)-one

Mol. Formula:
C10H7N3OS

M.W.:
217.25

Type:
Unknown

AlogP:
1.75

Polar Surface Area:
50.16

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4740445

Name:
8-phenylimidazo[1,2-c]pyrimidin-5(6H)-one

Mol. Formula:
C12H9N3O

M.W.:
211.22

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
50.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.67

DETAILS

ALA4764317

Name:
Ethyl (8-cyclohexyl-5-oxoimidazo[1,2-c]pyrimidin-6
Show More⌵

Mol. Formula:
C16H21N3O3

M.W.:
303.36