Compounds

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
48.91

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2272768

Name:
6-(4-Fluorophenyl)-4,5-dihydro-4-(3-nitrophenyl)-2
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Mol. Formula:
C19H14FN3O3

M.W.:
351.34

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
92.05

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2272767

Name:
4,5-Dihydro-6-(3,4-dimethoxyphenyl)-4-(4-methoxyph
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Mol. Formula:
C22H22N2O4

M.W.:
378.43

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
76.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2272766

Name:
6-(3,4-Dichlorophenyl)-4,5-dihydro-4-(4-methoxyphe
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Mol. Formula:
C20H16Cl2N2O2

M.W.:
387.27

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
58.14

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2272765

Name:
6-(4-Chlorophenyl)-4,5-dihydro-4-(4-methoxyphenyl)
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Mol. Formula:
C20H17ClN2O2

M.W.:
352.82

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
58.14

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2272764

Name:
6-(Benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-4-(4-meth
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Mol. Formula:
C21H18N2O4

M.W.:
362.39

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
76.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2272763

Name:
4-(Benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-6-(4-nitr
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Mol. Formula:
C20H15N3O5

M.W.:
377.36

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
110.51

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2272762

Name:
4,5-Dihydro-4-(3,4-dimethoxyphenyl)-6-(4-methoxyph
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Mol. Formula:
C22H22N2O4

M.W.:
378.43

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
76.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2272761

Name:
4,5-Dihydro-4-(3,4,5-trimethoxyphenyl)-6-p-tolyl-2
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Mol. Formula:
C23H24N2O4

M.W.:
392.46

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
76.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2272760

Name:
4,5-Dihydro-4,6-di-p-tolyl-2H-indazol-3-ol

Mol. Formula:
C21H20N2O

M.W.:
316.40

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
48.91

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2272759

Name:
4,5-Dihydro-4-(3,4-dimethoxyphenyl)-6-p-tolyl-2H-i
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Mol. Formula:
C22H22N2O3

M.W.:
362.43

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
67.37

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA2272758

Name:
4,5-Dihydro-4-(3,4,5-trimethoxyphenyl)-6-phenyl-2H
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Mol. Formula:
C22H22N2O4

M.W.:
378.43

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
76.60

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2272757

Name:
4,5-Dihydro-4-(4-methoxyphenyl)-6-phenyl-2H-indazo
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Mol. Formula:
C20H18N2O2

M.W.:
318.38

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
58.14

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2272756

Name:
4,5-Dihydro-6-phenyl-4-p-tolyl-2H-indazol-3-ol

Mol. Formula:
C20H18N2O

M.W.:
302.38

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
48.91

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2272755

Name:
4,5-Dihydro-4-(3,4-dimethoxyphenyl)-6-phenyl-2H-in
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Mol. Formula:
C21H20N2O3

M.W.:
348.40

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
67.37

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA2272754

Name:
3-(4-Fluorophenyl)-5-phenyl-6-carbethoxy-2-cyclohe
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Mol. Formula:
C21H19FO3

M.W.:
338.38

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2272753

Name:
3-(4-Fluorophenyl)-5-(3-nitrophenyl)-6-carbethoxy-
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Mol. Formula:
C21H18FNO5

M.W.:
383.38

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
86.51

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2272752

Name:
3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-6-carb
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Mol. Formula:
C24H26O6

M.W.:
410.47

9 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
71.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2272751

Name:
3-(3,4-Dichlorophenyl)-5-(4-methoxyphenyl)-6-carbe
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Mol. Formula:
C22H20Cl2O4

M.W.:
419.30

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
52.60

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2272749

Name:
3-Benzo[1,3]dioxol-5-yl-5-(4-methoxyphenyl)-6-carb
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Mol. Formula:
C23H22O6

M.W.:
394.42