Compounds

ALA3527325

Name:
2-(4-(4-(tert-butylcarbamoyl)-2-(2-chloro-4-(1-hyd
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Mol. Formula:
C28H27Cl2FN2O7S

M.W.:
625.50

24 activity values

8 unique targets

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
142.03

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3527324

Name:
2-(5-chloro-4-(2-(2-chloro-4-cyclopropylphenylsulf
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Mol. Formula:
C28H27Cl2FN2O7S

M.W.:
625.50

25 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
142.03

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA382604

Name:
1-(benzo[d][1,3]dioxol-5-yl)-4-(4-(hydroxydiphenyl
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Mol. Formula:
C29H31NO4

M.W.:
457.57

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
59.00

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA206576

Name:
1-(4-(2,2-difluoroethyl)phenyl)-4-(4-(hydroxydiphe
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Mol. Formula:
C30H33F2NO2

M.W.:
477.60

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.11

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA204998

Name:
1-(4-bromophenyl)-4-(4-(hydroxydiphenylmethyl)pipe
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Mol. Formula:
C28H30BrNO2

M.W.:
492.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.06

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA383199

Name:
4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-m
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Mol. Formula:
C29H33NO3

M.W.:
443.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
49.77

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA378460

Name:
3-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)b
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Mol. Formula:
C33H39NO4

M.W.:
513.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.79

Polar Surface Area:
66.84

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA207832

Name:
1-(4-butylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe
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Mol. Formula:
C32H39NO2

M.W.:
469.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.64

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA207831

Name:
1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe
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Mol. Formula:
C31H35NO2

M.W.:
453.63

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA204362

Name:
4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-(
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Mol. Formula:
C31H37NO3

M.W.:
471.64

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
60.77

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA207389

Name:
4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-(
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Mol. Formula:
C30H35NO3

M.W.:
457.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
60.77

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA208528

Name:
4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-(4-p
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Mol. Formula:
C31H37NO2

M.W.:
455.64

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
6.25

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA207982

Name:
1-(4-ethylphenyl)-4-(4-(hydroxydiphenylmethyl)pipe
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Mol. Formula:
C30H35NO2

M.W.:
441.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA205154

Name:
terfenadone

Cas Number:
43076-30-8

Mol. Formula:
C32H39NO2

M.W.:
469.67

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.60

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA207278

Name:
4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)-1-p-to
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Mol. Formula:
C29H33NO2

M.W.:
427.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.61

Polar Surface Area:
40.54

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS