Compounds

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
86.35

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4878808

Name:
(Z)-2-(4-((6-butoxy-3-oxobenzofuran-2(3H)-ylidene)
Show More⌵

Mol. Formula:
C25H28O6

M.W.:
424.49

6 activity values

Type:
Unknown

AlogP:
5.34

Polar Surface Area:
82.06

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4877444

Name:
2-(4-(3-(4-benzyl-1-(4-methylbenzyl)-5-oxo-4,5-dih
Show More⌵

Mol. Formula:
C30H33N3O4

M.W.:
499.61

Type:
Unknown

AlogP:
4.87

Polar Surface Area:
86.35

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4876536

Name:
(Z)-2-(4-((6-isobutoxy-3-oxobenzofuran-2(3H)-ylide
Show More⌵

Mol. Formula:
C23H24O6

M.W.:
396.44

5 activity values

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
82.06

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4875481

Name:
(Z)-2-(4-(((2-([1,1'-biphenyl]-4-ylmethylene)-3-ox
Show More⌵

Mol. Formula:
C34H30O6

M.W.:
534.61

Type:
Unknown

AlogP:
7.41

Polar Surface Area:
82.06

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4873389

Name:
(Z)-2-(4-(((2-(4-cholobenzylidene)-3-oxo-2,3-dihyd
Show More⌵

Mol. Formula:
C28H25ClO6

M.W.:
492.96

Type:
Unknown

AlogP:
6.39

Polar Surface Area:
82.06

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4872922

Name:
(Z)-2-(2,6-dimethyl-4-(((3-oxo-2-(2-(trifluorometh
Show More⌵

Mol. Formula:
C29H25F3O6

M.W.:
526.51

57 activity values

7 unique targets

Type:
Unknown

AlogP:
6.76

Polar Surface Area:
82.06

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4872726

Name:
(Z)-2-(2,6-dimethyl-4-(((2-(4-(methylthio)benzylid
Show More⌵

Mol. Formula:
C29H28O6S

M.W.:
504.60

Type:
Unknown

AlogP:
6.46

Polar Surface Area:
82.06

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4870584

Name:
6-benzyloxy-2-((8-ethoxy-4-methyl)ethylnona-3E,7Z-
Show More⌵

Mol. Formula:
C31H40O5

M.W.:
492.66

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.34

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4870407

Name:
2-methyl-2-(4-(3-(1-(4-methylbenzyl)-5-oxo-4-(3,4,
Show More⌵

Mol. Formula:
C33H39N3O7

M.W.:
589.69

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
114.04

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4869342

Name:
(Z)-2-(2,6-dimethyl-4-(((2-(naphthalen-2-ylmethyle
Show More⌵

Mol. Formula:
C32H28O6

M.W.:
508.57

Type:
Unknown

AlogP:
6.89

Polar Surface Area:
82.06

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4869134

Name:
(Z)-2-(4-(((2-(4-isopropylbenzylidene)-3-oxo-2,3-d
Show More⌵

Mol. Formula:
C31H32O6

M.W.:
500.59

Type:
Unknown

AlogP:
6.86

Polar Surface Area:
82.06

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5287640

Name:
3-fluoro-5-(((2-(4-(trifluoromethyl)phenyl)thiazol
Show More⌵

Mol. Formula:
C18H12F4N2O2S

M.W.:
396.37

Type:
---

AlogP:
5.28

Polar Surface Area:
62.22

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5286820

Name:
4-(((2Z,5Z)-5-((E)-3-(4-(dimethylamino)phenyl)ally
Show More⌵

Mol. Formula:
C28H25N3O3S

M.W.:
483.59

Type:
---

AlogP:
5.81

Polar Surface Area:
73.21

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5286196

Name:
3-(((4'-methoxy-[1,1'-biphenyl]-4-yl)methyl)amino)
Show More⌵

Mol. Formula:
C21H19NO3

M.W.:
333.39

Type:
---

AlogP:
4.67

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5283572

Name:
3-(((1-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazo
Show More⌵

Mol. Formula:
C17H13F3N4O2

M.W.:
362.31

Type:
---

AlogP:
3.60

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5279537

Name:
3-fluoro-5-(((4'-methoxy-[1,1'-biphenyl]-4-yl)meth
Show More⌵

Mol. Formula:
C21H18FNO3

M.W.:
351.38

Type:
---

AlogP:
4.81

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4867319

Name:
(2Z,6E)-ethyl 9-(6-(benzyloxy)-2-methylchroman-2-y
Show More⌵

Mol. Formula:
C31H37F3O5

M.W.:
546.63

2 activity values

2 unique targets

Type:
Unknown

AlogP:
7.88

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4866115

Name:
2-(4-(3-(1,4-bis(4-methylbenzyl)-5-oxo-4,5-dihydro
Show More⌵

Mol. Formula:
C31H35N3O4

M.W.:
513.64

Type:
Unknown

AlogP:
5.18

Polar Surface Area:
86.35

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4865961

Name:
(Z)-2-(4-((6-methoxy-3-oxobenzofuran-2(3H)-ylidene
Show More⌵

Mol. Formula:
C20H18O6

M.W.:
354.36

5 activity values