Compounds

Type:
Small molecule

AlogP:
5.70

Polar Surface Area:
110.67

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2261511

Name:
2-((E)-4-phenylbut-3-en-2-ylidene)hydrazinecarboxamide

Mol. Formula:
C11H13N3O

M.W.:
203.25

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
67.48

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2261510

Name:
1-(2,4-dinitrophenyl)-2-((E)-4-phenylbut-3-en-2-ylidene)hydrazine

Mol. Formula:
C16H14N4O4

M.W.:
326.31

2 activity values

Type:
Small molecule

AlogP:
4.00

Polar Surface Area:
110.67

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2261509

Name:
1-phenyl-2-((E)-4-phenylbut-3-en-2-ylidene)hydrazine

Mol. Formula:
C16H16N2

M.W.:
236.32

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2261508

Name:
1-(2,4-dinitrophenyl)-2-((E)-1,3-diphenylallylidene)hydrazine

Mol. Formula:
C21H16N4O4

M.W.:
388.38

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.03

Polar Surface Area:
110.67

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA2261507

Name:
1-((E)-1,3-diphenylallylidene)-2-phenylhydrazine

Mol. Formula:
C21H18N2

M.W.:
298.39

Type:
Small molecule

AlogP:
5.22

Polar Surface Area:
24.39

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2261506

Name:
(2E)-1-(4-hydroxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one

Mol. Formula:
C15H11NO4

M.W.:
269.26

2 unique targets

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
80.44

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2261505

Name:
(2E)-3-(4-hydroxyphenyl-3-methoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one

Mol. Formula:
C22H18O4

M.W.:
346.38

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2261504

Name:
(2E)-3-(4-hydroxyphenyl-3-methoxyphenyl)-1-phenylprop-2-en-1-one

Mol. Formula:
C22H18O3

M.W.:
330.38

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2236251

Name:
3-Methoxyl-4-ethoxylphenyl-1-propenyl-3-yl-2,2-dimethyl-3-(2-methylprop-1-eShow More⌵

Mol. Formula:
C22H30O4

M.W.:
358.48

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2236250

Name:
1-(4-acetoxy-3-methoxyphenyl)allyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclShow More⌵

Mol. Formula:
C22H28O5

M.W.:
372.46

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2236249

Name:
1-(4-Ethoxy-3-methoxyphenyl)allyl 2-(4-chlorophenyl)-3-methylbutanoate

Mol. Formula:
C23H27ClO4

M.W.:
402.92

Type:
Small molecule

AlogP:
5.96

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA2236248

Name:
1-(4-Acetoxy-3-methoxyphenyl)allyl 2-(4-chlorophenyl)-3-methylbutanoate

Mol. Formula:
C23H25ClO5

M.W.:
416.90