Compounds

ALA5267515

Name:
(3-(2-aminopropan-2-yl)-4-hydroxyphenyl)(isoindolin-2-yl)methanone

Mol. Formula:
C18H20N2O2

M.W.:
296.37

Type:
---

AlogP:
2.74

Polar Surface Area:
66.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5220579

Name:
(3-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thio)-4-hydroxyphenyl)(isoindolin-Show More⌵

Mol. Formula:
C23H19NO4S

M.W.:
405.48

2 activity values

2 unique targets

Type:
---

AlogP:
4.47

Polar Surface Area:
59.00

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5220067

Name:
1-(4-chlorophenyl)-3-(2-oxo-7-(2-(piperidin-2-yl)ethoxy)-2H-chromen-3-yl)urShow More⌵

Mol. Formula:
C23H24ClN3O4

M.W.:
441.92

2 activity values

2 unique targets

Type:
---

AlogP:
5.00

Polar Surface Area:
92.60

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5282664

Name:
N-(5-(3,4-dichlorobenzyl)thiazol-2-yl)-2-((4-methoxyphenyl)amino)acetamide

Mol. Formula:
C19H17Cl2N3O2S

M.W.:
422.34

Type:
---

AlogP:
5.10

Polar Surface Area:
63.25

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5282185

Name:
N-(4-bromo-2-fluorophenyl)-6-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)hexaShow More⌵

Mol. Formula:
C20H19BrFN3O3

M.W.:
448.29

Type:
---

AlogP:
3.79

Polar Surface Area:
83.96

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5281828

Name:
(3-(5-(4-chlorophenyl)-2-hydroxypentan-2-yl)-4-hydroxyphenyl)(isoindolin-2-Show More⌵

Mol. Formula:
C26H26ClNO3

M.W.:
435.95

Type:
---

AlogP:
5.43

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5281407

Name:
(4-hydroxy-3-(2-hydroxy-6-phenylhexan-2-yl)phenyl)(isoindolin-2-yl)methanonShow More⌵

Mol. Formula:
C27H29NO3

M.W.:
415.53

Type:
---

AlogP:
5.17

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5280465

Name:
(4-hydroxy-3-(2-hydroxy-5-methoxypent-3-yn-2-yl)phenyl)(isoindolin-2-yl)metShow More⌵

Mol. Formula:
C21H21NO4

M.W.:
351.40

Type:
---

AlogP:
2.41

Polar Surface Area:
70.00

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5279505

Name:
(4-hydroxy-3-(2-hydroxy-5-methylhexan-2-yl)phenyl)(isoindolin-2-yl)methanonShow More⌵

Mol. Formula:
C22H27NO3

M.W.:
353.46

Type:
---

AlogP:
4.19

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5279420

Name:
(4-hydroxy-3-(2-hydroxy-5-(o-tolyl)pentan-2-yl)phenyl)(isoindolin-2-yl)methShow More⌵

Mol. Formula:
C27H29NO3

M.W.:
415.53

Type:
---

AlogP:
5.09

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5279033

Name:
(4-hydroxy-3-(2-hydroxy-5-phenylpent-4-yn-2-yl)phenyl)(isoindolin-2-yl)methShow More⌵

Mol. Formula:
C26H23NO3

M.W.:
397.47

Type:
---

AlogP:
4.20

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5277885

Name:
(4-hydroxy-3-(2-hydroxybutan-2-yl)phenyl)(isoindolin-2-yl)methanone

Mol. Formula:
C19H21NO3

M.W.:
311.38

Type:
---

AlogP:
3.17

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5277792

Name:
(4-hydroxy-3-(2-hydroxyhex-5-en-2-yl)phenyl)(isoindolin-2-yl)methanone

Mol. Formula:
C21H23NO3

M.W.:
337.42

Type:
---

AlogP:
3.72

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5277312

Name:
(4-hydroxy-3-(2-hydroxy-5-(pyridin-2-yl)pentan-2-yl)phenyl)(isoindolin-2-ylShow More⌵

Mol. Formula:
C25H26N2O3

M.W.:
402.49

Type:
---

AlogP:
4.17

Polar Surface Area:
73.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5276395

Name:
(4-hydroxy-3-(2-hydroxy-5-phenylpent-3-yn-2-yl)phenyl)(isoindolin-2-yl)methShow More⌵

Mol. Formula:
C26H23NO3

M.W.:
397.47

Type:
---

AlogP:
4.00

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5276392

Name:
(4-hydroxy-3-(2-hydroxy-1-phenylpropan-2-yl)phenyl)(isoindolin-2-yl)methanoShow More⌵

Mol. Formula:
C24H23NO3

M.W.:
373.45

Type:
---

AlogP:
4.00

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5276326

Name:
(4-hydroxy-3-(2-hydroxypropan-2-yl)phenyl)(isoindolin-2-yl)methanone

Mol. Formula:
C18H19NO3

M.W.:
297.35

Type:
---

AlogP:
2.78

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5275106

Name:
(E)-(4-hydroxy-3-(2-hydroxy-5-phenylpent-4-en-2-yl)phenyl)(isoindolin-2-yl)Show More⌵

Mol. Formula:
C26H25NO3

M.W.:
399.49

Type:
---

AlogP:
4.86

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5274560

Name:
(4-hydroxy-3-(3-hydroxypentan-3-yl)phenyl)(isoindolin-2-yl)methanone

Mol. Formula:
C20H23NO3

M.W.:
325.41

Type:
---

AlogP:
3.56

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5274479

Name:
(3-(5-(3-chlorophenyl)-2-hydroxypentan-2-yl)-4-hydroxyphenyl)(isoindolin-2-Show More⌵

Mol. Formula:
C26H26ClNO3

M.W.:
435.95

Type:
---

AlogP:
5.43

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS