Compounds

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
98.74

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2096709

Name:
4-{[3,3-Dimethyl-2-(3-methyl-2-methylamino-3-phenyl-butyrylamino)-butyryl]-Show More⌵

Mol. Formula:
C27H43N3O4

M.W.:
473.66

4 activity values

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
98.74

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA195572

Name:
2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-but-1-enyl]-phenol

Mol. Formula:
C20H24O5

M.W.:
344.41

Type:
Small molecule

AlogP:
4.38

Polar Surface Area:
57.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA193716

Name:
2-Methoxy-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-propenyl]-phenol

Mol. Formula:
C19H22O5

M.W.:
330.38

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
57.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA364034

Name:
(Z)-3-(3-Hydroxy-4-methoxy-phenyl)-2-methoxy-1-(3,4,5-trimethoxy-phenyl)-prShow More⌵

Mol. Formula:
C20H22O7

M.W.:
374.39

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
83.45

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA191957

Name:
5-[(E)-3-Hydroxy-2-methyl-3-(3,4,5-trimethoxy-phenyl)-propenyl]-2-methoxy-pShow More⌵

Mol. Formula:
C20H24O6

M.W.:
360.41

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
77.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA192276

Name:
(E)-3-(3,4,5-Trihydroxy-phenyl)-1-(2,3,4-trimethoxy-phenyl)-propenone

Mol. Formula:
C18H18O7

M.W.:
346.34

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
105.45

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA192221

Name:
(E)-3-(3,5-Difluoro-4-methoxy-phenyl)-1-(2,3,4-trimethoxy-phenyl)-propenone

Mol. Formula:
C19H18F2O5

M.W.:
364.34

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA191407

Name:
(E)-3-(3,5-Difluoro-4-methoxy-phenyl)-1-(3,4,5-trimethoxy-phenyl)-propenone

Mol. Formula:
C19H18F2O5

M.W.:
364.34

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA364517

Name:
(E)-3-(4-Methoxy-3-nitro-phenyl)-2-methyl-1-(3,4,5-trimethoxy-phenyl)-propeShow More⌵

Mol. Formula:
C20H21NO7

M.W.:
387.39

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
97.13

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA426644

Name:
(E)-3-(3-Fluoro-4-methoxy-phenyl)-2-methyl-1-(3,4,5-trimethoxy-phenyl)-propShow More⌵

Mol. Formula:
C20H21FO5

M.W.:
360.38

8 activity values

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA192357

Name:
1,2,3-Triethoxy-5-[(Z)-2-(3-fluoro-4-methoxy-phenyl)-vinyl]-benzene

Mol. Formula:
C21H25FO4

M.W.:
360.43

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
36.92

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA192056

Name:
5-[(Z)-2-(3-Fluoro-4-methoxy-phenyl)-vinyl]-1,2,3-trimethyl-benzene

Mol. Formula:
C18H19FO

M.W.:
270.35

Type:
Small molecule

AlogP:
4.93

Polar Surface Area:
9.23

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA364969

Name:
2-Methoxy-5-((Z)-styryl)-phenol

Mol. Formula:
C15H14O2

M.W.:
226.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
29.46

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA192739

Name:
2-Methoxy-5-[(Z)-2-(3,4,5-triethoxy-phenyl)-vinyl]-phenol

Mol. Formula:
C21H26O5

M.W.:
358.43

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
57.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA194709

Name:
2-Methoxy-5-[(E)-1-methyl-2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenol

Mol. Formula:
C19H22O5

M.W.:
330.38

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
57.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA195840

Name:
(E)-3-(3-Hydroxy-4-methoxy-phenyl)-1-(2,3,4-trimethoxy-phenyl)-propenone

Mol. Formula:
C19H20O6

M.W.:
344.36

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
74.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA194925

Name:
(Z)-3-(3,5-Difluoro-4-methoxy-phenyl)-2-methoxy-1-(3,4,5-trimethoxy-phenyl)Show More⌵

Mol. Formula:
C20H20F2O6

M.W.:
394.37

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
63.22

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA192540

Name:
5-[(Z)-2-(4-Methoxy-phenyl)-vinyl]-1,2,3-trimethyl-benzene

Mol. Formula:
C18H20O

M.W.:
252.36