Compounds

ALA3647448

Name:
US8901310, Comparator J

Mol. Formula:
C31H34F3N3O2

M.W.:
537.63

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.65

Polar Surface Area:
75.11

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3647447

Name:
US8901310, Comparator I

Mol. Formula:
C29H27F3N2O2

M.W.:
492.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.24

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3647446

Name:
US8901310, Comparator H

Mol. Formula:
C29H30F2N2O2

M.W.:
476.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3647445

Name:
US8901310, Comparator G

Mol. Formula:
C29H29F3N2O3

M.W.:
510.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
76.27

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3647444

Name:
US8901310, Comparator F

Mol. Formula:
C29H29F3N2O3

M.W.:
510.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
82.45

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3647443

Name:
US8901310, Comparator E

Mol. Formula:
C29H27F3N2O3

M.W.:
508.54

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.80

Polar Surface Area:
79.29

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3647442

Name:
US8901310, Comparator D

Mol. Formula:
C29H29F3N2O2

M.W.:
494.56

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.16

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3647441

Name:
US8901310, Comparator C

Mol. Formula:
C31H33F3N2O2

M.W.:
522.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.94

Polar Surface Area:
62.22

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3647440

Name:
US8901310, Comparator B

Mol. Formula:
C29H30F3N3O2

M.W.:
509.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.87

Polar Surface Area:
75.11

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

fosdagrocorat

Name:
FOSDAGROCORAT

Mol. Formula:
C29H30F3N2O5P

M.W.:
574.54

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
108.75

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

Bergenin

Name:
(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-2,3,4Show More⌵

Mol. Formula:
C14H16O9

M.W.:
328.27

174 activity values

42 unique targets

Type:
Small molecule

AlogP:
-1.20

Polar Surface Area:
145.91

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA131

Name:
(R)-11,17-Dihydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-6,7,8,9,10,11,12,1Show More⌵

Mol. Formula:
C21H28O5

M.W.:
360.45

1,540 activity values

201 unique targets

Type:
Small molecule

AlogP:
1.56

Polar Surface Area:
94.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS