Compounds

Type:
---

AlogP:
5.23

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5185451

Name:
2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline-5,9-diamine

Mol. Formula:
C13H10N6O

M.W.:
266.26

Type:
---

AlogP:
1.70

Polar Surface Area:
108.26

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4800690

Name:
3-(Furan-2-yl)-1-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)propan-1-one

Mol. Formula:
C18H19F3N2O2

M.W.:
352.36

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
36.69

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4800317

Name:
1-Methyl-4-(4-(trifluoromethyl)phenyl)piperazine

Mol. Formula:
C11H13ClF3N3

M.W.:
279.69

Type:
Unknown

AlogP:
2.51

Polar Surface Area:
19.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.79

DETAILS

ALA4800121

Name:
N-(2-methoxyethyl)-9-oxo-9-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)nonShow More⌵

Mol. Formula:
C23H34F3N3O3

M.W.:
457.54

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
61.88

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

1-[3-Chloro-5-(trifluoromethyl)pyrid-2-yl]piperazine

Name:
1-(4-(Trifluoromethyl)phenyl)piperazine

Mol. Formula:
C10H11ClF3N3

M.W.:
265.67

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
28.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.84

DETAILS

ALA4800053

Name:
1-(4-(3,5-bis(Trifluoromethyl)phenyl)piperazin-1-3/1)-4-(thiophen-2-yl)butaShow More⌵

Mol. Formula:
C20H20F6N2OS

M.W.:
450.45

Type:
Unknown

AlogP:
5.46

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4799557

Name:
4-(Thiophen-2-yl)-1-(4-(4-(trifluoromethyl)phenyl)piperidin-1-yl)butan-1-onShow More⌵

Mol. Formula:
C20H22F3NOS

M.W.:
381.46

Type:
Unknown

AlogP:
5.50

Polar Surface Area:
20.31

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4799462

Name:
1-(4-Cyclohexylpiperazin-1-yl)-4-(thiophen-2-yl)butan-1-one

Mol. Formula:
C18H28N2OS

M.W.:
320.50

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4799104

Name:
1-(4-(2-Chloro-4-(trifluoromethyl)phenyl)piperazin-1-yl)-4-(thiophen-2-yl)bShow More⌵

Mol. Formula:
C19H20ClF3N2OS

M.W.:
416.90

Type:
Unknown

AlogP:
5.09

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4798291

Name:
7,3'-dihydroxydihydroflavone-4'-O-beta-D-glucopyranoside

Mol. Formula:
C21H20O10

M.W.:
432.38

6 activity values

3 unique targets

Type:
Unknown

AlogP:
0.05

Polar Surface Area:
170.05

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4797733

Name:
1-(Thiophen-2-yl)-4-(4-(4-(trifluoromethyl)phenyl)piperidin-1-yl)butane-1,4Show More⌵

Mol. Formula:
C20H20F3NO2S

M.W.:
395.45

Type:
Unknown

AlogP:
5.14

Polar Surface Area:
37.38

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4795947

Name:
3-(Thiophen-2-ylthio)-1-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)propanShow More⌵

Mol. Formula:
C18H19F3N2OS2

M.W.:
400.49

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
23.55

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4795531

Name:
3-(Thiophen-2-yl)-1-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)propan-1-oShow More⌵

Mol. Formula:
C18H19F3N2OS

M.W.:
368.42

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4794136

Name:
1-(Thiophen-2-yl)-4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)butane-1,4Show More⌵

Mol. Formula:
C19H19F3N2O2S

M.W.:
396.43

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
40.62

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4793848

Name:
9-Oxo-9-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)nonanoic acid

Mol. Formula:
C20H27F3N2O3

M.W.:
400.44

Type:
Unknown

AlogP:
4.17

Polar Surface Area:
60.85

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4793504

Name:
5-(Thiophen-2-yl)-1-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)pentan-1-oShow More⌵

Mol. Formula:
C20H23F3N2OS

M.W.:
396.48

Type:
Unknown

AlogP:
4.83

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4793247

Name:
2-(Thiophen-2-yl)-1-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)ethanone

Mol. Formula:
C17H17F3N2OS

M.W.:
354.40

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
23.55

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4792988

Name:
1-(4-(4-(Trifluoromethyl)phenyl)piperazin-1-yl)ethanone

Mol. Formula:
C13H15F3N2O

M.W.:
272.27

Type:
Unknown

AlogP:
2.37

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.78

DETAILS

ALA4792788

Name:
Methyl 9-Oxo-9-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)nonanoate

Mol. Formula:
C21H29F3N2O3

M.W.:
414.47