Compounds

ALA5272116

Name:
N1-benzyl-4-chloro-5-methyl-N3-phenylisophthalamide

Mol. Formula:
C22H19ClN2O2

M.W.:
378.86

Type:
---

AlogP:
4.83

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5271504

Name:
2-((2R,4R)-1-(4-(((3R,4R)-1-(5-ethoxy-2-fluorophenyl)-3-methylpiperidin-4-yShow More⌵

Mol. Formula:
C30H41FN2O6

M.W.:
544.66

Type:
---

AlogP:
4.99

Polar Surface Area:
80.70

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5270539

Name:
6-hydroxy-4-methoxy-2-(2-(4'-methoxy-[1,1'-biphenyl]-3-yl)-2-oxoethyl)-3-(3Show More⌵

Mol. Formula:
C28H28O6

M.W.:
460.53

Type:
---

AlogP:
5.71

Polar Surface Area:
93.06

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5270306

Name:
(2E)-5,6-dimethoxy-2-[[2-[2-(2-thienyl)ethoxy]phenyl]methylene]indan-1-one

Mol. Formula:
C24H22O4S

M.W.:
406.50

Type:
---

AlogP:
5.21

Polar Surface Area:
44.76

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5270118

Name:
2-hydroxy-4-methoxy-6-(2-(4'-methoxy-[1,1'-biphenyl]-3-yl)-2-oxoethyl)-3-(3Show More⌵

Mol. Formula:
C28H28O6

M.W.:
460.53

Type:
---

AlogP:
5.71

Polar Surface Area:
93.06

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5269370

Name:
2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-(2-oxo-2-(2'-(trifluoromethShow More⌵

Mol. Formula:
C28H25F3O5

M.W.:
498.50

Type:
---

AlogP:
6.72

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5269325

Name:
6-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-2-(2-oxo-2-(3'-(trifluoromethShow More⌵

Mol. Formula:
C28H25F3O5

M.W.:
498.50

Type:
---

AlogP:
6.72

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5269274

Name:
2-((2S,3S,4R)-1-(4-(((3R,4R)-1-(5-ethoxy-2-fluorophenyl)-3-methylpiperidin-Show More⌵

Mol. Formula:
C28H37FN2O5

M.W.:
500.61

Type:
---

AlogP:
4.83

Polar Surface Area:
71.47

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5268951

Name:
2-(2-(2'-fluoro-4'-methoxy-[1,1'-biphenyl]-3-yl)-2-oxoethyl)-6-hydroxy-4-meShow More⌵

Mol. Formula:
C28H27FO6

M.W.:
478.52

Type:
---

AlogP:
5.85

Polar Surface Area:
93.06

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5268912

Name:
4-chloro-6-fluoro-N1-(4-fluoro-2-((2-methoxyethoxy)methyl)benzyl)-N3-(2-metShow More⌵

Mol. Formula:
C27H24ClF5N2O4

M.W.:
570.94

Type:
---

AlogP:
6.29

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5268888

Name:
6-hydroxy-4-methoxy-2-(2-(4'-methyl-[1,1'-biphenyl]-3-yl)-2-oxoethyl)-3-(3-Show More⌵

Mol. Formula:
C28H28O5

M.W.:
444.53

Type:
---

AlogP:
6.01

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5268798

Name:
2-((2R,4R)-1-(4-((1-(5-ethoxy-2-fluorophenyl)piperidin-4-yl)oxy)phenyl)-4-pShow More⌵

Mol. Formula:
C31H35FN2O5

M.W.:
534.63

Type:
---

AlogP:
5.77

Polar Surface Area:
71.47

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5268342

Name:
6-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-2-(2-oxo-2-(2'-(trifluoromethShow More⌵

Mol. Formula:
C28H25F3O5

M.W.:
498.50

Type:
---

AlogP:
6.72

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5268158

Name:
Amorfrutin B

Mol. Formula:
C25H30O4

M.W.:
394.51

Type:
---

AlogP:
5.73

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5268127

Name:
7-Hydroxy-4,8-dimethoxy-3-(3'-methyl-but-2'-enyl)-2-quinolone

Mol. Formula:
C16H19NO4

M.W.:
289.33

Type:
---

AlogP:
2.76

Polar Surface Area:
71.55

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5268025

Name:
6-(2-(4'-ethyl-[1,1'-biphenyl]-3-yl)-2-oxoethyl)-2-hydroxy-4-methoxy-3-(3-mShow More⌵

Mol. Formula:
C29H30O5

M.W.:
458.55

Type:
---

AlogP:
6.26

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5282442

Name:
2-hydroxy-4-methoxy-6-(2-(4'-methyl-[1,1'-biphenyl]-3-yl)-2-oxoethyl)-3-(3-Show More⌵

Mol. Formula:
C28H28O5

M.W.:
444.53

Type:
---

AlogP:
6.01

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5282181

Name:
4-chloro-N1-(2-methoxybenzyl)-N3-phenylisophthalamide

Mol. Formula:
C22H19ClN2O3

M.W.:
394.86

Type:
---

AlogP:
4.53

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5282137

Name:
2-(2-(3-cyclopropylphenyl)-2-oxoethyl)-6-hydroxy-4-methoxy-3-(3-methylbut-2Show More⌵

Mol. Formula:
C24H26O5

M.W.:
394.47

Type:
---

AlogP:
4.91

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5281844

Name:
2-(2-(3-(2-chloropyridin-4-yl)phenyl)-2-oxoethyl)-6-hydroxy-4-methoxy-3-(3-Show More⌵

Mol. Formula:
C26H24ClNO5

M.W.:
465.93

Type:
---

AlogP:
5.75

Polar Surface Area:
96.72

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS