Compounds

ALA5271525

Name:
2-(2-(6-bromo-4-chloro-2-oxo-2H-chromen-3-yl)-1H-benzo[d]imidazol-5-yl)-3,4Show More⌵

Mol. Formula:
C20H15BrCl2N4O2

M.W.:
494.18

Type:
---

AlogP:
4.49

Polar Surface Area:
83.28

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5276739

Name:
2-[2-(7-(N,N-Diethylamino)-2-oxo-2H-chromen-3-yl)benzothiazol-6-yl]-3,4,5,6Show More⌵

Mol. Formula:
C24H25ClN4O2S

M.W.:
469.01

Type:
---

AlogP:
4.66

Polar Surface Area:
70.73

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5274445

Name:
2-(2-(4-chloro-2-oxo-2H-chromen-3-yl)-1H-benzo[d]imidazol-5-yl)-4,5-dihydroShow More⌵

Mol. Formula:
C19H14Cl2N4O2

M.W.:
401.25

Type:
---

AlogP:
3.34

Polar Surface Area:
83.28

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5274153

Name:
2-(2-(4-chloro-6-methyl-2-oxo-2H-chromen-3-yl)-1H-benzo[d]imidazol-5-yl)-3,Show More⌵

Mol. Formula:
C21H18Cl2N4O2

M.W.:
429.31

Type:
---

AlogP:
4.04

Polar Surface Area:
83.28

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5273678

Name:
2-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-1H-benzo[d]imidazol-5-yl)-3,4Show More⌵

Mol. Formula:
C24H26ClN5O2

M.W.:
451.96

Type:
---

AlogP:
3.92

Polar Surface Area:
86.52

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5286680

Name:
2-(2-(4-chloro-2-oxo-2H-chromen-3-yl)-1H-benzo[d]imidazol-5-yl)-3,4,5,6-tetShow More⌵

Mol. Formula:
C20H16Cl2N4O2

M.W.:
415.28

Type:
---

AlogP:
3.73

Polar Surface Area:
83.28

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5284601

Name:
2-(2-(7-(diethylamino)-2-oxo-2H-chromen-3-yl)-1H-benzo[d]imidazol-5-yl)-4,5Show More⌵

Mol. Formula:
C23H24ClN5O2

M.W.:
437.93

Type:
---

AlogP:
3.53

Polar Surface Area:
86.52

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5289851

Name:
2-[2-(7-(N,N-Diethylamino)-2-oxo-2H-chromen-3-yl)benzothiazol-6-yl]-4,5-dihShow More⌵

Mol. Formula:
C23H23ClN4O2S

M.W.:
454.98

Type:
---

AlogP:
4.27

Polar Surface Area:
70.73

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5287724

Name:
2-(2-(6-bromo-4-chloro-2-oxo-2H-chromen-3-yl)-1H-benzo[d]imidazol-5-yl)-4,5Show More⌵

Mol. Formula:
C19H13BrCl2N4O2

M.W.:
480.15

Type:
---

AlogP:
4.10

Polar Surface Area:
83.28

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5266539

Name:
2-(2-(4-chloro-6-methyl-2-oxo-2H-chromen-3-yl)-1H-benzo[d]imidazol-5-yl)-4,Show More⌵

Mol. Formula:
C20H16Cl2N4O2

M.W.:
415.28

Type:
---

AlogP:
3.65

Polar Surface Area:
83.28

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5209332

Name:
6,8-dimethoxy-2-(4-propoxyphenyl)-4-(2-pyrrolidin-1-ylethoxy)quinoline

Mol. Formula:
C26H32N2O4

M.W.:
436.55

15 activity values

7 unique targets

Type:
---

AlogP:
5.18

Polar Surface Area:
53.05

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5202059

Name:
5,8-dimethoxy-2-(4-propoxyphenyl)-4-(2-pyrrolidin-1-ylethoxy)quinoline

Mol. Formula:
C26H32N2O4

M.W.:
436.55

8 activity values

6 unique targets

Type:
---

AlogP:
5.18

Polar Surface Area:
53.05

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5185967

Name:
2-[[5,8-dimethoxy-2-(4-propoxyphenyl)-4-quinolyl]oxy]-N,N-diethyl-ethanaminShow More⌵

Mol. Formula:
C26H34N2O4

M.W.:
438.57

8 activity values

6 unique targets

Type:
---

AlogP:
5.43

Polar Surface Area:
53.05

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5181347

Name:
5,8-dimethoxy-4-[2-(1-piperidyl)ethoxy]-2-(4-propoxyphenyl)quinoline

Mol. Formula:
C27H34N2O4

M.W.:
450.58

13 activity values

7 unique targets

Type:
---

AlogP:
5.57

Polar Surface Area:
53.05

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5173495

Name:
4-[2-(4-benzylpiperazin-1-yl)ethoxy]-5,7-dimethoxy-2-(4-propoxyphenyl)quinoShow More⌵

Mol. Formula:
C33H39N3O4

M.W.:
541.69

15 activity values

7 unique targets

Type:
---

AlogP:
5.90

Polar Surface Area:
56.29

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.22

DETAILS