Compounds

ALA5267528

Name:
(3Z,3'E,4S,4'S,5S,5'S)-3,3'-(decane-1,10-diylidene)bis(4-hydroxy-5-methyldiShow More⌵

Mol. Formula:
C20H30O6

M.W.:
366.45

Type:
---

AlogP:
2.57

Polar Surface Area:
93.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5267060

Name:
2-((2S,3R)-1-(4-(((3R,4R)-1-(5-chloro-2-methoxypyridin-4-yl)-3-methylpiperiShow More⌵

Mol. Formula:
C25H32ClN3O4

M.W.:
474.00

Type:
---

AlogP:
4.73

Polar Surface Area:
75.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5266853

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

Mol. Formula:
C25H24O5S

M.W.:
436.53

Type:
---

AlogP:
5.76

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5266833

Name:
6-(2-(3-(2-chloropyridin-4-yl)phenyl)-2-oxoethyl)-2-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

ALA5266348

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

Mol. Formula:
C32H37FN2O6

M.W.:
564.65

Type:
---

AlogP:
5.78

Polar Surface Area:
80.70

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5265975

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

Mol. Formula:
C27H25ClO5

M.W.:
464.95

Type:
---

AlogP:
6.35

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5265829

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

Mol. Formula:
C28H37FN2O4

M.W.:
484.61

Type:
---

AlogP:
5.60

Polar Surface Area:
62.24

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.53

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

ALA5281753

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

Mol. Formula:
C31H43FN2O6

M.W.:
558.69

Type:
---

AlogP:
5.24

Polar Surface Area:
80.70

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5281604

Name:
N1-benzyl-4-chloro-N3-phenyl-5-(trifluoromethyl)isophthalamide

Mol. Formula:
C22H16ClF3N2O2

M.W.:
432.83

Type:
---

AlogP:
5.54

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5281304

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

Mol. Formula:
C27H33F3N2O5

M.W.:
522.56

Type:
---

AlogP:
5.18

Polar Surface Area:
71.47

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5279388

Name:
2-{4-bromo-2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-6-methoxyphenyl}acetiShow More⌵

Mol. Formula:
C13H12BrNO5S

M.W.:
374.21

Type:
---

AlogP:
1.98

Polar Surface Area:
92.70

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5279264

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

Mol. Formula:
C27H25FO5

M.W.:
448.49

Type:
---

AlogP:
5.84

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5279072

Name:
2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-(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

ALA5278668

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

Mol. Formula:
C21H17ClN2O2

M.W.:
364.83

Type:
---

AlogP:
4.52

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5277936

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

Mol. Formula:
C27H25ClO5

M.W.:
464.95

Type:
---

AlogP:
6.35

Polar Surface Area:
83.83

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5277813

Name:
2-((2S,3R,4R)-1-(4-(((3R,4R)-1-(5-chloro-2-methoxypyridin-4-yl)-3-methylpipShow More⌵

Mol. Formula:
C26H31ClF3N3O4

M.W.:
542.00

Type:
---

AlogP:
5.52

Polar Surface Area:
75.13

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS