Compounds

Type:
Unknown

AlogP:
5.45

Polar Surface Area:
35.50

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4795981

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)thio)ethyl)amino)piperidin-1-yl)(2-fluorShow More⌵

Mol. Formula:
C27H27F3N2OS

M.W.:
484.59

Type:
Unknown

AlogP:
5.82

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4795634

Name:
Benzofuran-2-yl(4-((2-((bis(4-fluorophenyl)methyl)thio)ethyl)amino)piperidiShow More⌵

Mol. Formula:
C29H28F2N2O2S

M.W.:
506.62

Type:
Unknown

AlogP:
6.43

Polar Surface Area:
45.48

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4794406

Name:
N-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)-1-(4-fluorobenzyl)piperidin-4-Show More⌵

Mol. Formula:
C27H29F3N2S

M.W.:
470.60

11 activity values

Type:
Unknown

AlogP:
6.18

Polar Surface Area:
15.27

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4791063

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)thio)ethyl)amino)piperidin-1-yl)(2,4-difShow More⌵

Mol. Formula:
C27H26F4N2OS

M.W.:
502.58

13 activity values

Type:
Unknown

AlogP:
5.96

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4789139

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)thio)ethyl)(isopropyl)amino)piperidin-1-Show More⌵

Mol. Formula:
C30H33F3N2OS

M.W.:
526.67

Type:
Unknown

AlogP:
6.94

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4788854

Name:
1-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)-N-(4-fluorobenzyl)piperidin-4-Show More⌵

Mol. Formula:
C27H29F3N2S

M.W.:
470.60

Type:
Unknown

AlogP:
6.18

Polar Surface Area:
15.27

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4788794

Name:
1-Benzyl-N-(2-((bis(4-fluorophenyl)methyl)thio)ethyl)piperidin-4-amine

Mol. Formula:
C27H30F2N2S

M.W.:
452.61

Type:
Unknown

AlogP:
6.04

Polar Surface Area:
15.27

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4785770

Name:
N-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)-1-(4-chlorobenzyl)piperidin-4-Show More⌵

Mol. Formula:
C27H29ClF2N2S

M.W.:
487.06

Type:
Unknown

AlogP:
6.70

Polar Surface Area:
15.27

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4785024

Name:
(R)-2-(bis(4-fluorophenyl)methylsulfinyl)acetamide

Mol. Formula:
C15H13F2NO2S

M.W.:
309.34

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
66.15

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4784884

Name:
1-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)-N-(4-(trifluoromethyl)benzyl)pShow More⌵

Mol. Formula:
C28H29F5N2S

M.W.:
520.61

Type:
Unknown

AlogP:
7.06

Polar Surface Area:
15.27

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4784393

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)thio)ethyl)(methyl)amino)piperidin-1-yl)Show More⌵

Mol. Formula:
C28H29F3N2OS

M.W.:
498.61

Type:
Unknown

AlogP:
6.16

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4783618

Name:
N-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)-1-neopentylpiperidin-4-amine

Mol. Formula:
C25H34F2N2S

M.W.:
432.62

Type:
Unknown

AlogP:
5.89

Polar Surface Area:
15.27

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4782055

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethyl)amino)piperidin-1-yl)(2,4Show More⌵

Mol. Formula:
C27H26F4N2O2S

M.W.:
518.58

Type:
Unknown

AlogP:
4.98

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4781767

Name:
N-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)-1-(cyclopropylmethyl)piperidinShow More⌵

Mol. Formula:
C24H30F2N2S

M.W.:
416.58

Type:
Unknown

AlogP:
5.25

Polar Surface Area:
15.27

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4777080

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethyl)amino)piperidin-1-yl)(4-fShow More⌵

Mol. Formula:
C27H27F3N2O2S

M.W.:
500.59

12 activity values

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
55.40

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4765081

Name:
1-(4-((2-((Bis(4-fluorophenyl)methyl)thio)ethyl)amino)piperidin-1-yl)-2,2-dShow More⌵

Mol. Formula:
C25H32F2N2OS

M.W.:
446.61

9 activity values

7 unique targets

Type:
Unknown

AlogP:
5.41

Polar Surface Area:
32.34

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4764168

Name:
N-(2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethyl)-1-neopentylpiperidin-4-amiShow More⌵

Mol. Formula:
C25H34F2N2OS

M.W.:
448.62

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
38.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4762706

Name:
(4-((2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethyl)(methyl)amino)piperidin-1Show More⌵

Mol. Formula:
C28H29F3N2O2S

M.W.:
514.61

Type:
Unknown

AlogP:
5.18

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4762414

Name:
1-(Benzofuran-2-ylmethyl)-N-(2-((bis(4-fluorophenyl)methyl)thio)ethyl)piperShow More⌵

Mol. Formula:
C29H30F2N2OS

M.W.:
492.64