Compounds

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
26.79

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4567801

Name:
3-(4-(4-(4-Fluorophenyl)piperazin-1-yl)butyl)-5-phenyl-1,3,4-oxadiazol-2(3HShow More⌵

Mol. Formula:
C22H25FN4O2

M.W.:
396.47

Type:
Unknown

AlogP:
3.24

Polar Surface Area:
54.51

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4548602

Name:
(3S,8S,9S,10R,13R,14S,17R)-17-((S)-5-Hydroxy-5-methylhexan-2-yl)-3,10,13-trShow More⌵

Mol. Formula:
C27H46O2

M.W.:
402.66

Type:
Unknown

AlogP:
6.50

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4533030

Name:
1-(4-((2,4-dimethylbenzyl)(methyl)amino)butyl)-3,4-dihydroquinolin-2(1H)-onShow More⌵

Mol. Formula:
C23H30N2O

M.W.:
350.51

23 activity values

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
23.55

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4529074

Name:
2-(6-(5-chloro-4-methylthiophen-2-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl)-N,N-diShow More⌵

Mol. Formula:
C16H16ClN3OS

M.W.:
333.84

21 activity values

6 unique targets

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
38.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4521106

Name:
(3S,8S,9S,10R,13R,14S,17R)-17-((R)-5-Methoxy-5-methylhexan-2-yl)-3,10,13-trShow More⌵

Mol. Formula:
C28H48O2

M.W.:
416.69

Type:
Unknown

AlogP:
7.16

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4513602

Name:
N,N-dimethyl-2-(6-(2-(trifluoromethyl)pyridin-4-yl)-1H-pyrrolo[3,2-b]pyridiShow More⌵

Mol. Formula:
C17H15F3N4O

M.W.:
348.33

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4476306

Name:
(3R,8S,9S,10R,13R,14S,17R)-17-((R)-5-hydroxy-5-methylhexan-2-yl)-3,10,13-trShow More⌵

Mol. Formula:
C27H46O2

M.W.:
402.66

3 activity values

Type:
Unknown

AlogP:
6.50

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4469066

Name:
1-Adamantan-1-yl-3-[5-(7-methoxy-1,2,3,4-tetrahydro-acridin-9-ylamino)-pentShow More⌵

Mol. Formula:
C30H42N4OS

M.W.:
506.76

Type:
Unknown

AlogP:
6.14

Polar Surface Area:
58.21

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4463741

Name:
1-(4-(7-nitro-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-3,4-dihydroquinolin-2(Show More⌵

Mol. Formula:
C22H25N3O3

M.W.:
379.46

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
66.69

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4463483

Name:
N,N-dimethyl-2-(6-(2-(trifluoromethyl)phenyl)-1H-pyrrolo[3,2-b]pyridin-1-ylShow More⌵

Mol. Formula:
C18H16F3N3O

M.W.:
347.34

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4462496

Name:
N,N-dimethyl-2-(6-(4-(trifluoromethyl)phenyl)-1H-pyrrolo[3,2-b]pyridin-1-ylShow More⌵

Mol. Formula:
C18H16F3N3O

M.W.:
347.34

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
38.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4462073

Name:
N,N-dimethyl-2-(6-(6-(trifluoromethyl)pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridiShow More⌵

Mol. Formula:
C17H15F3N4O

M.W.:
348.33

10 activity values

9 unique targets

Type:
Unknown

AlogP:
3.21

Polar Surface Area:
51.02

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4459690

Name:
1-(4-(3H-spiro[isobenzofuran-1,4'-piperidin]-1'-yl)butyl)-3,4-dihydroquinolShow More⌵

Mol. Formula:
C25H30N2O2

M.W.:
390.53

23 activity values

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
32.78

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4454333

Name:
3-(4-(7-Nitro-3,4-dihydroisoquinolin-2(1H)-yl)butyl)-5-phenyl-1,3,4-oxadiazShow More⌵

Mol. Formula:
C21H22N4O4

M.W.:
394.43

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
94.41

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4453315

Name:
1-(4-(4-(pyridine-2-yl)piperazin-1-yl)butyl)-3,4-dihydroquinolin-2(1H)-one

Mol. Formula:
C22H28N4O

M.W.:
364.49

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
39.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4451677

Name:
3-(4-(4-Cyclohexylpiperazin-1-yl)butyl)-5-phenyl-1,3,4-oxadiazol-2(3H)-one

Mol. Formula:
C22H32N4O2

M.W.:
384.52

23 activity values