Compounds

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2285727

Name:
(Z)-2-(4'-Acetoxyphenyl)-1-(4-methoxyphenyl)ethene

Mol. Formula:
C17H16O3

M.W.:
268.31

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2285726

Name:
(Z)-2-Phenyl-1-(4-hydroxyphenyl)ethene

Mol. Formula:
C14H12O

M.W.:
196.25

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2285725

Name:
(Z)-2-(4',5'-Methylenedioxyphenyl)-1-(3,4,5-trimethoxyphenyl)ethene

Mol. Formula:
C18H18O5

M.W.:
314.34

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
46.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2285724

Name:
(Z)-2-(4',5'-Diacetoxyphenyl)-1-(3,4,5-trimethoxyphenyl)ethene

Mol. Formula:
C21H22O7

M.W.:
386.40

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
80.29

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2285723

Name:
(Z)-2-(4',6'-Dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)ethene

Mol. Formula:
C17H16Cl2O3

M.W.:
339.22

Type:
Small molecule

AlogP:
5.19

Polar Surface Area:
27.69

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2285722

Name:
(Z)-2-(4',6'-Dinitrophenyl)-1-(3,4,5-trimethoxyphenyl)ethene

Mol. Formula:
C17H16N2O7

M.W.:
360.32

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
113.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2285721

Name:
(E)-3-(3'-Hydroxy-4'-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acrylamide

Mol. Formula:
C19H21NO6

M.W.:
359.38

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
100.24

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2285720

Name:
(E)-3-(3'-Hydroxy-4'-methoxyphenyl)-2-(3,4,5-Trimethoxyphenyl)prop-2-en-1-oShow More⌵

Mol. Formula:
C19H22O6

M.W.:
346.38

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
77.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA2285674

Name:
(E)-Methyl-3-(3'-hydroxy-4'-methoxyphenyl)-2-(3,4,5-Trimethoxyphenyl)prop-2Show More⌵

Mol. Formula:
C20H22O7

M.W.:
374.39

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
83.45

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2285719

Name:
(Z)-4-(2-(benzo[d][1,3]dioxol-5-yl)vinyl)phenol

Mol. Formula:
C15H12O3

M.W.:
240.26

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
38.69

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA2285718

Name:
(Z)-2-(4',5'-Diacetoxyphenyl)-1-(4-acetoxyphenyl)ethene

Mol. Formula:
C20H18O6

M.W.:
354.36

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
78.90

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2285717

Name:
(Z)-2-(4'-Methoxy-5'-acetoxyphenyl)-1-(4-acetoxyphenyl)ethene

Mol. Formula:
C19H18O5

M.W.:
326.35

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2285716

Name:
(Z)-2-(4'-Methoxy-5'-nitrophenyl)-1-(4-hydroxyphenyl)ethene

Mol. Formula:
C15H13NO4

M.W.:
271.27

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
72.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2285715

Name:
(Z)-2-(4'-Nitrophenyl)-1-(4-hydroxyphenyl)ethene

Mol. Formula:
C14H11NO3

M.W.:
241.25

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
63.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2272737

Name:
6-Hydroxymexicanolide

Mol. Formula:
C27H32O8

M.W.:
484.55

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
120.11

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA2272736

Name:
Moluccensin S

Mol. Formula:
C32H42O10

M.W.:
586.68

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
149.57

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2272735

Name:
Moluccensin R

Mol. Formula:
C31H40O10

M.W.:
572.65