Compounds

ALA5271130

Name:
5-(4-ethoxyphenyl)-4-(4-phenethylpiperazin-1-yl)-5H-pyrrolo[3,2-d]pyrimidinShow More⌵

Mol. Formula:
C27H28N6O

M.W.:
452.56

Type:
---

AlogP:
4.06

Polar Surface Area:
70.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5268990

Name:
4-(4-(2-(pyridin-4-yl)ethyl)piperazin-1-yl)-7,8,9,10-tetrahydro-6H-pyrimidoShow More⌵

Mol. Formula:
C23H27N7

M.W.:
401.52

Type:
---

AlogP:
2.79

Polar Surface Area:
73.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5280028

Name:
(4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl)(furan-2-yl)methanone

Mol. Formula:
C19H17N5O2

M.W.:
347.38

Type:
---

AlogP:
2.67

Polar Surface Area:
78.26

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5277917

Name:
2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5-methoxyphenyl 2-methoxybenzoShow More⌵

Mol. Formula:
C26H24O7

M.W.:
448.47

Type:
---

AlogP:
4.84

Polar Surface Area:
80.29

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5275704

Name:
4-(4-(pyridin-2-yl)piperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizShow More⌵

Mol. Formula:
C20H21N7

M.W.:
359.44

Type:
---

AlogP:
2.36

Polar Surface Area:
73.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5274754

Name:
1-[2-(3,4-difluorophenyl)ethyl]-4-[8-(pyrrolidine-1-sulfonyl)-5H-pyrimido[5Show More⌵

Mol. Formula:
C26H28F2N6O2S

M.W.:
526.61

Type:
---

AlogP:
3.54

Polar Surface Area:
85.43

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5286733

Name:
4-(4-(2-(1H-indol-3-yl)ethyl)piperazin-1-yl)-5-propyl-5H-pyrrolo[3,2-d]pyriShow More⌵

Mol. Formula:
C24H27N7

M.W.:
413.53

Type:
---

AlogP:
3.56

Polar Surface Area:
76.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5283433

Name:
5-benzyl-4-[(3-phenylpropyl)amino]-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitriShow More⌵

Mol. Formula:
C23H21N5

M.W.:
367.46

Type:
---

AlogP:
4.40

Polar Surface Area:
66.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5283201

Name:
4-((2-(1H-indol-3-yl)ethyl)amino)-6,7,8,9-tetrahydropyrimido[4,5-b]indoliziShow More⌵

Mol. Formula:
C21H20N6

M.W.:
356.43

Type:
---

AlogP:
3.78

Polar Surface Area:
82.32

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5291352

Name:
4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-5-phenyl-5H-pyrrolo[3,Show More⌵

Mol. Formula:
C25H22N6O2

M.W.:
438.49

Type:
---

AlogP:
3.34

Polar Surface Area:
79.44

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5291319

Name:
5-(2-methoxyphenyl)-4-(4-phenethylpiperazin-1-yl)-5H-pyrrolo[3,2-d]pyrimidiShow More⌵

Mol. Formula:
C26H26N6O

M.W.:
438.54

Type:
---

AlogP:
3.67

Polar Surface Area:
70.21

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5290476

Name:
4-(4-(furan-2-carbonyl)piperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indShow More⌵

Mol. Formula:
C20H20N6O2

M.W.:
376.42

Type:
---

AlogP:
2.19

Polar Surface Area:
91.19

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5288508

Name:
4-(4-phenylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole

Mol. Formula:
C20H19N5

M.W.:
329.41

Type:
---

AlogP:
3.44

Polar Surface Area:
48.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5288507

Name:
4-(4-(2-(1H-indol-3-yl)ethyl)piperazin-1-yl)-5-methyl-5H-pyrrolo[3,2-d]pyriShow More⌵

Mol. Formula:
C22H23N7

M.W.:
385.48

Type:
---

AlogP:
2.69

Polar Surface Area:
76.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5288268

Name:
4-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-5-phenethyl-5H-pyrroloShow More⌵

Mol. Formula:
C27H26N6O2

M.W.:
466.55

Type:
---

AlogP:
3.60

Polar Surface Area:
79.44

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5287304

Name:
4-(4-(furan-2-carbonyl)piperazin-1-yl)-7,8,9,10-tetrahydro-6H-pyrimido[4',5Show More⌵

Mol. Formula:
C21H22N6O2

M.W.:
390.45

Type:
---

AlogP:
2.58

Polar Surface Area:
91.19

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5287272

Name:
4-(4-(2-(pyridin-4-yl)ethyl)piperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-Show More⌵

Mol. Formula:
C22H25N7

M.W.:
387.49

Type:
---

AlogP:
2.40

Polar Surface Area:
73.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5266836

Name:
4-(4-(2-(1H-indol-3-yl)ethyl)piperazin-1-yl)-5-ethyl-5H-pyrrolo[3,2-d]pyrimShow More⌵

Mol. Formula:
C23H25N7

M.W.:
399.50

Type:
---

AlogP:
3.17

Polar Surface Area:
76.77

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4588731

Name:
4-(2-((4'-((6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-methyl)biphenyl-Show More⌵

Mol. Formula:
C29H28N4O5

M.W.:
512.57

4 activity values

2 unique targets

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
102.87

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4561820

Name:
(2-(pyridin-3-yl)quinolin-4-yl)(4-(thiophen-2-ylmethyl)piperazin-1-yl)methaShow More⌵

Mol. Formula:
C24H22N4OS

M.W.:
414.53

6 activity values

3 unique targets

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
49.33

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS