Compounds

ALA3086951

Name:
(2S,2'S)-benzyl 2,2'-((((2S,5R)-5-(4-acetamido-2-oxopyrimidin-1(2H)-yl)-1,3Show More⌵

Mol. Formula:
C30H36N5O9PS

M.W.:
673.69

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
176.18

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3086948

Name:
N-(1-((2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2-oxo-1,2-dihydropyrimShow More⌵

Mol. Formula:
C10H13N3O4S

M.W.:
271.30

8 activity values

5 unique targets

Type:
Small molecule

AlogP:
-0.22

Polar Surface Area:
93.45

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA189987

Name:
Furanoxanthone

Mol. Formula:
C19H15ClO7

M.W.:
390.77

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
98.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA365964

Name:
Furanoxanthone

Mol. Formula:
C19H16O7

M.W.:
356.33

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
98.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA192424

Name:
Furanoxanthone

Mol. Formula:
C19H16O8

M.W.:
372.33

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
118.59

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA446440

Name:
2-((R)-1,2-Dihydroxy-1-methyl-ethyl)-5-hydroxy-10-((S)-methoxy)-1,2-dihydroShow More⌵

Mol. Formula:
C19H18O7

M.W.:
358.35

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
109.36

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA365115

Name:
Furanoxanthone

Mol. Formula:
C19H14O6

M.W.:
338.31

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
78.13

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA192962

Name:
Furanoxanthone

Mol. Formula:
C19H16O7

M.W.:
356.33

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
98.36

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA372898

Name:
2-((R)-1,2-Dihydroxy-1-methyl-ethyl)-5-hydroxy-10-((R)-methoxy)-1,2-dihydroShow More⌵

Mol. Formula:
C19H18O7

M.W.:
358.35

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
109.36

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA363845

Name:
Furanoxanthone

Mol. Formula:
C19H14O7

M.W.:
354.31

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.26

Polar Surface Area:
90.66

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.53

DETAILS