Compounds

ALA5272363

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

Mol. Formula:
C20H21NO3

M.W.:
323.39

Type:
---

AlogP:
3.33

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5272337

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

Mol. Formula:
C22H27NO3

M.W.:
353.46

Type:
---

AlogP:
4.34

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5271250

Name:
(4-hydroxy-3-(2-hydroxypentan-2-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

ALA5270730

Name:
(4-hydroxy-3-(1-hydroxy-1-phenylethyl)phenyl)(isoindolin-2-yl)methanone

Mol. Formula:
C23H21NO3

M.W.:
359.43

Type:
---

AlogP:
3.80

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5270073

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

Mol. Formula:
C25H25NO3

M.W.:
387.48

Type:
---

AlogP:
4.39

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5269682

Name:
2-(2-hydroxy-5-(isoindoline-2-carbonyl)phenyl)-2-methylpropanenitrile

Mol. Formula:
C19H18N2O2

M.W.:
306.36

Type:
---

AlogP:
3.35

Polar Surface Area:
64.33

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.93

DETAILS

ALA5267930

Name:
Dimethyl 2,6-bis(2-(dimethylamino)ethyl)-1-methyl-4-(4-(trifluoromethyl)pheShow More⌵

Mol. Formula:
C25H36Cl2F3N3O4

M.W.:
570.48

Type:
---

AlogP:
3.49

Polar Surface Area:
62.32

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5267805

Name:
(4-hydroxy-3-(2-hydroxy-5-phenylpentan-2-yl)phenyl)(isoindolin-2-yl)methanoShow More⌵

Mol. Formula:
C26H27NO3

M.W.:
401.51

Type:
---

AlogP:
4.78

Polar Surface Area:
60.77

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5267711

Name:
(3-(2,5-dihydroxypentan-2-yl)-4-hydroxyphenyl)(isoindolin-2-yl)methanone

Mol. Formula:
C20H23NO4

M.W.:
341.41

Type:
---

AlogP:
2.53

Polar Surface Area:
81.00

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

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