Compounds

3 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
94.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA379206

Name:
4-((4-hydroxyphenyl)diazenyl)benzenesulfonamide

Mol. Formula:
C12H11N3O3S

M.W.:
277.31

69 activity values

69 unique targets

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
105.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA207039

Name:
(R)-5-chloro-6'-methyl-3-[4-(methylsulfinyl)phenyl]-2,3'-bipyridine

Mol. Formula:
C18H15ClN2OS

M.W.:
342.85

Type:
Small molecule

AlogP:
4.51

Polar Surface Area:
48.84

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA345948

Name:
2-(3,5-Dioxo-1,2-diphenyl-pyrazolidin-4-yl)-2-methyl-propionitrile

Mol. Formula:
C19H17N3O2

M.W.:
319.36

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
64.41

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA346303

Name:
4-Butylidene-1,2-diphenyl-pyrazolidine-3,5-dione

Mol. Formula:
C19H18N2O2

M.W.:
306.37

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA439827

Name:
2-Chloro-N-[2-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)-ethyl]-acetamide

Mol. Formula:
C19H18ClN3O3

M.W.:
371.82

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA156787

Name:
4-sec-Butylidene-1,2-diphenyl-pyrazolidine-3,5-dione

Mol. Formula:
C19H18N2O2

M.W.:
306.37

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA422332

Name:
1,2-Diphenyl-4-(1-phenyl-ethylidene)-pyrazolidine-3,5-dione

Mol. Formula:
C23H18N2O2

M.W.:
354.41

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA346970

Name:
4-Isopropylidene-1,2-diphenyl-pyrazolidine-3,5-dione

Mol. Formula:
C18H16N2O2

M.W.:
292.34

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA154653

Name:
1,2-Diphenyl-4-(3-phenyl-allylidene)-pyrazolidine-3,5-dione

Mol. Formula:
C24H18N2O2

M.W.:
366.42

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA154268

Name:
[2-(3,5-Dioxo-1,2-diphenyl-pyrazolidin-4-yl)-ethyl]-carbamic acid phenyl esShow More⌵

Mol. Formula:
C24H21N3O4

M.W.:
415.45

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
78.95

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA152614

Name:
2-Bromo-N-[2-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)-ethyl]-acetamide

Mol. Formula:
C19H18BrN3O3

M.W.:
416.28

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
69.72

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA347168

Name:
4-(4-Chloro-but-2-ynyl)-1,2-diphenyl-pyrazolidine-3,5-dione

Mol. Formula:
C19H15ClN2O2

M.W.:
338.79

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
40.62

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA344038

Name:
N,N'-Bis-(4-hydroxy-phenyl)-malonamide

Mol. Formula:
C15H14N2O4

M.W.:
286.29

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
98.66

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA137084

Name:
N,N'-Bis-(3-hydroxy-phenyl)-malonamide

Mol. Formula:
C15H14N2O4

M.W.:
286.29

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
98.66

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA439611

Name:
2-Butyl-N,N'-bis-(4-hydroxy-phenyl)-malonamide

Mol. Formula:
C19H22N2O4

M.W.:
342.40

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
98.66

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA136624

Name:
2-Butyl-N,N'-bis-(4-hydroxy-2-methyl-phenyl)-malonamide

Mol. Formula:
C21H26N2O4

M.W.:
370.45

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
98.66

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA415726

Name:
N,N'-Bis-(4-hydroxy-phenyl)-succinamide

Mol. Formula:
C16H16N2O4

M.W.:
300.31