Compounds

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4861624

Name:
10-(6-ethylpyridin-3-yl)-7,8-dihydro-5H-indeno[1,2
Show More⌵

Mol. Formula:
C23H20N2O2

M.W.:
356.43

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4861013

Name:
10-(4-(methylsulfonyl)phenyl)-7,8-dihydro-5H-inden
Show More⌵

Mol. Formula:
C23H19NO4S

M.W.:
405.48

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
80.31

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4860146

Name:
1-(4-(2-methylallyloxy)phenyl)-3-phenylurea

Mol. Formula:
C17H18N2O2

M.W.:
282.34

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
50.36

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4859150

Name:
10-(4-ethylphenyl)-7,8-dihydro-5H-indeno[1,2-b]qui
Show More⌵

Mol. Formula:
C24H21NO2

M.W.:
355.44

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4858584

Name:
10-(3-methoxyphenyl)-7,8-dihydro-5H-indeno[1,2-b]q
Show More⌵

Mol. Formula:
C23H19NO3

M.W.:
357.41

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4858201

Name:
10-(4-isopropylphenyl)-7,8-dihydro-5H-indeno[1,2-b
Show More⌵

Mol. Formula:
C25H23NO2

M.W.:
369.46

Type:
Unknown

AlogP:
5.11

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4857874

Name:
10-(4-methoxyphenyl)-7,8-dihydro-5H-indeno[1,2-b]q
Show More⌵

Mol. Formula:
C23H19NO3

M.W.:
357.41

Type:
Unknown

AlogP:
4.00

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4857591

Name:
10-(4-(2-hydroxyethoxy)phenyl)-7,8-dihydro-5H-inde
Show More⌵

Mol. Formula:
C24H21NO4

M.W.:
387.44

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
75.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4857084

Name:
10-(4-hydroxy-3-methoxyphenyl)-7,8-dihydro-5H-inde
Show More⌵

Cas Number:
372499-75-7

Mol. Formula:
C23H19NO4

M.W.:
373.41

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
75.63

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4856879

Name:
1-(4-(4-fluoro-5-(2-methylpiperidin-1-yl)-2-nitrop
Show More⌵

Mol. Formula:
C20H29FN4O3

M.W.:
392.48

Type:
Unknown

AlogP:
3.42

Polar Surface Area:
69.93

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4878165

Name:
N,N'-(4,4'-methylenebis(2-methyl-4,1-phenylene))di
Show More⌵

Mol. Formula:
C25H22N2O2S2

M.W.:
446.60

Type:
Unknown

AlogP:
6.52

Polar Surface Area:
58.20

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4875290

Name:
1-(2-fluoro-4-nitro-5-(4-(phenylsulfonyl)piperazin
Show More⌵

Mol. Formula:
C22H27FN4O4S

M.W.:
462.55

2 activity values

Type:
Unknown

AlogP:
3.63

Polar Surface Area:
87.00

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4850089

Name:
10-(4-phenoxyphenyl)-7,8-dihydro-5H-indeno[1,2-b]q
Show More⌵

Mol. Formula:
C28H21NO3

M.W.:
419.48

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4849977

Name:
10-(4-butoxyphenyl)-7,8-dihydro-5H-indeno[1,2-b]qu
Show More⌵

Mol. Formula:
C26H25NO3

M.W.:
399.49

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4849761

Name:
10-(pyridin-3-yl)-7,8-dihydro-5H-indeno[1,2-b]quin
Show More⌵

Mol. Formula:
C21H16N2O2

M.W.:
328.37

Type:
Unknown

AlogP:
3.38

Polar Surface Area:
59.06

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4848484

Name:
10-(biphenyl-4-yl)-7,8-dihydro-5H-indeno[1,2-b]qui
Show More⌵

Cas Number:
700854-01-9

Mol. Formula:
C28H21NO2

M.W.:
403.48

Type:
Unknown

AlogP:
5.66

Polar Surface Area:
46.17

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4847974

Name:
10-(4-(trifluoromethoxy)phenyl)-7,8-dihydro-5H-ind
Show More⌵

Mol. Formula:
C23H16F3NO3

M.W.:
411.38

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4847967

Name:
1-(4-(4-fluoro-5-(4-methylpiperidin-1-yl)-2-nitrop
Show More⌵

Mol. Formula:
C19H27FN4O3

M.W.:
378.45

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
69.93

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4847159

Name:
10-(4-chlorophenyl)-7,8-dihydro-5H-indeno[1,2-b]qu
Show More⌵

Mol. Formula:
C22H16ClNO2

M.W.:
361.83