Compounds

ALA4105593

Name:
(S)-3-(1,4'-bipiperidin-1'-ylmethyl)-N-(2,2,2-trifluoro-1-phenylethyl)-2-(3Show More⌵

Mol. Formula:
C36H36F6N4O

M.W.:
654.70

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.40

Polar Surface Area:
48.47

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4104743

Name:
3-(1,4'-bipiperidin-1'-ylmethyl)-7-ethoxy-N-(1-phenylcyclopropyl)-2-(3-(triShow More⌵

Mol. Formula:
C39H43F3N4O2

M.W.:
656.79

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.19

Polar Surface Area:
57.70

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4103166

Name:
(R)-3-(1,4'-bipiperidin-1'-ylmethyl)-6-bromo-N-(2,2,2-trifluoro-1-phenylethShow More⌵

Mol. Formula:
C36H35BrF6N4O

M.W.:
733.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
9.17

Polar Surface Area:
48.47

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4097859

Name:
3-(1,4'-bipiperidin-1'-ylmethyl)-N-(1-phenylcyclopropyl)-2-(3-(trifluorometShow More⌵

Mol. Formula:
C37H39F3N4O

M.W.:
612.74

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.79

Polar Surface Area:
48.47

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4095413

Name:
(R)-3-(1,4'-bipiperidin-1'-ylmethyl)-7-methoxy-N-(2,2,2-trifluoro-1-phenyleShow More⌵

Mol. Formula:
C37H38F6N4O2

M.W.:
684.73

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.41

Polar Surface Area:
57.70

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4094483

Name:
3-(1,4'-bipiperidin-1'-ylmethyl)-7-methoxy-N-(1-phenylcyclopropyl)-2-(3-(trShow More⌵

Mol. Formula:
C38H41F3N4O2

M.W.:
642.77

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.80

Polar Surface Area:
57.70

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4079837

Name:
3-(1,4'-bipiperidin-1'-ylmethyl)-N-(2-phenylpropan-2-yl)-2-(3-(trifluorometShow More⌵

Mol. Formula:
C37H41F3N4O

M.W.:
614.76

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.04

Polar Surface Area:
48.47

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4078886

Name:
(R)-3-(1,4'-bipiperidin-1'-ylmethyl)-7-bromo-N-(2,2,2-trifluoro-1-phenylethShow More⌵

Mol. Formula:
C36H35BrF6N4O

M.W.:
733.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
9.17

Polar Surface Area:
48.47

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3613643

Name:
2-amino-N-(4-(4-isopropylpiperazin-1-ylsulfonyl)phenyl)-4-(trifluoromethyl)Show More⌵

Mol. Formula:
C21H25F3N4O3S

M.W.:
470.52

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
95.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3613641

Name:
N-(4-(4-isopropylpiperazin-1-ylsulfonyl)phenyl)-2,4-bis(trifluoromethyl)benShow More⌵

Mol. Formula:
C22H23F6N3O3S

M.W.:
523.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3613640

Name:
2-fluoro-N-(4-(4-isopropylpiperazin-1-ylsulfonyl)phenyl)-4-(trifluoromethylShow More⌵

Mol. Formula:
C21H23F4N3O3S

M.W.:
473.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3613638

Name:
N-(4-(4-cyclopentylpiperazin-1-ylsulfonyl)phenyl)-4-(trifluoromethyl)benzamShow More⌵

Mol. Formula:
C23H26F3N3O3S

M.W.:
481.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3613637

Name:
N-(4-(4-(ethyl(methyl)amino)piperidin-1-ylsulfonyl)phenyl)-4-(trifluoromethShow More⌵

Mol. Formula:
C22H26F3N3O3S

M.W.:
469.53

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3613636

Name:
N-(4-(4-(diethylamino)piperidin-1-ylsulfonyl)phenyl)-4-(trifluoromethyl)benShow More⌵

Mol. Formula:
C23H28F3N3O3S

M.W.:
483.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3613635

Name:
N-(4-(4-(dimethylamino)piperidin-1-ylsulfonyl)phenyl)-4-(trifluoromethyl)beShow More⌵

Mol. Formula:
C21H24F3N3O3S

M.W.:
455.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3613634

Name:
N-(4-(4-isopropyl-1,4-diazepan-1-ylsulfonyl)phenyl)-4-(trifluoromethyl)benzShow More⌵

Mol. Formula:
C22H26F3N3O3S

M.W.:
469.53

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3613633

Name:
N-(4-(N,N-dimethylsulfamoyl)phenyl)-4-(trifluoromethyl)benzamide

Mol. Formula:
C16H15F3N2O3S

M.W.:
372.37

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3613632

Name:
N-(4-(4-isopropylpiperazine-1-carbonyl)phenyl)-4-(trifluoromethyl)benzamide

Mol. Formula:
C22H24F3N3O2

M.W.:
419.45

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
52.65

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3613631

Name:
N-(4-(4-isopropylpiperazin-1-ylsulfonyl)phenyl)-4-(trifluoromethyl)benzenesShow More⌵

Mol. Formula:
C20H24F3N3O4S2

M.W.:
491.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
86.79

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3613630

Name:
N-(4-(4-isopropylpiperazin-1-ylsulfonyl)phenyl)-3-(trifluoromethyl)benzamidShow More⌵

Mol. Formula:
C21H24F3N3O3S

M.W.:
455.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
69.72

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS