Compounds

Type:
---

AlogP:
3.17

Polar Surface Area:
79.15

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5182632

Name:
(2R,3S,4S,5R,6S)-2-(4-chloro-3-(4-methoxybenzyl)phenyl)-6-(methylthio)tetraShow More⌵

Mol. Formula:
C20H23ClO5S

M.W.:
410.92

4 unique targets

Type:
---

AlogP:
2.78

Polar Surface Area:
79.15

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

KGA-2727

Name:
3-((3-(4-((5-isopropyl-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethShow More⌵

Mol. Formula:
C26H40N4O8

M.W.:
536.63

3 activity values

Type:
---

AlogP:
-0.16

Polar Surface Area:
192.41

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5177502

Name:
Empagliflozin

Mol. Formula:
C23H27ClO7

M.W.:
450.92

Type:
---

AlogP:
1.61

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5169442

Name:
N'-(((2R,3S,4S,5R,6R)-6-(4-chloro-3-(4-cyclopropylbenzyl)-1H-indol-1-yl)-3,Show More⌵

Mol. Formula:
C26H30ClN3O5

M.W.:
500.00

Type:
---

AlogP:
2.38

Polar Surface Area:
115.98

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4799516

Name:
(2S,3R,4R,6R)-2-(5-(benzo[b]thiophen-2-ylmethyl)-2-hydroxy-4-methoxyphenyl)Show More⌵

Mol. Formula:
C22H22F2O6S

M.W.:
452.48

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
99.38

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4794246

Name:
(2S,3R,4R,6R)-2-(5-((2,3-dihydrobenzofuran-5-yl)methyl)-2-hydroxy-4-methoxyShow More⌵

Mol. Formula:
C22H24F2O7

M.W.:
438.42

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4789658

Name:
(2S,3R,4R,5S,6R)-2-(4-chloro-5-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methylShow More⌵

Mol. Formula:
C22H24ClFO7

M.W.:
454.88

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4779277

Name:
(2S,3R,4R,6R)-2-(4-chloro-2-hydroxy-5-(3-methoxybenzyl)phenyl)-5,5-difluoroShow More⌵

Mol. Formula:
C20H21ClF2O6

M.W.:
430.83

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4765201

Name:
(2S,3R,4R,6R)-2-(4-chloro-5-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-2Show More⌵

Mol. Formula:
C22H23ClF2O7

M.W.:
472.87

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
97.61

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4761992

Name:
(2S,3R,4R,5S,6R)-2-(7-(4-ethylbenzyl)-2,3-dihydro-1H-inden-5-yl)-6-(hydroxyShow More⌵

Mol. Formula:
C24H30O5

M.W.:
398.50

Type:
Unknown

AlogP:
1.84

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4761283

Name:
(2S,3R,4R,6R)-2-(4-chloro-2-hydroxy-5-(4-methoxybenzyl)phenyl)-5,5-difluoroShow More⌵

Mol. Formula:
C20H21ClF2O6

M.W.:
430.83

17 activity values

5 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4756382

Name:
(2S,3R,4R,5S,6R)-2-(5-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-2-hydroShow More⌵

Mol. Formula:
C23H27FO8

M.W.:
450.46

11 activity values

Type:
Unknown

AlogP:
1.64

Polar Surface Area:
117.84

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4756083

Name:
(2S,3R,4R,6R)-2-(5-(benzo[b]thiophen-2-ylmethyl)-4-chloro-2-hydroxyphenyl)-Show More⌵

Mol. Formula:
C21H19ClF2O5S

M.W.:
456.89

17 activity values

5 unique targets

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
90.15

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4755187

Name:
(2S,3R,4R,6R)-2-(5-(chroman-6-ylmethyl)-2-hydroxy-4-methoxyphenyl)-5,5-diflShow More⌵

Mol. Formula:
C23H26F2O7

M.W.:
452.45

30 activity values

6 unique targets

Type:
Unknown

AlogP:
2.11

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4753564

Name:
(2S,3R,4R,6R)-2-(5-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-2-hydroxy-Show More⌵

Mol. Formula:
C22H24F2O8

M.W.:
454.42

Type:
Unknown

AlogP:
1.55

Polar Surface Area:
117.84

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4753488

Name:
(2S,3R,4R,5S,6R)-2-(5-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-2,4-dimShow More⌵

Mol. Formula:
C24H29FO8

M.W.:
464.49

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
106.84

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4752364

Name:
(2S,3R,4R,5S,6R)-2-(5-(chroman-6-ylmethyl)-2-hydroxy-4-methoxyphenyl)-5-fluShow More⌵

Mol. Formula:
C24H29FO7

M.W.:
448.49

Type:
Unknown

AlogP:
2.20

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4745086

Name:
(2S,3R,4R,6R)-2-(5-(benzo[b]thiophen-2-ylmethyl)-4-chloro-2-methoxyphenyl)-Show More⌵

Mol. Formula:
C22H21ClF2O5S

M.W.:
470.92

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
79.15

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4743055

Name:
(2S,3R,4R,5S,6R)-2-(5-(benzo[b]thiophen-2-ylmethyl)-4-chloro-2-hydroxyphenyShow More⌵

Mol. Formula:
C22H22ClFO5S

M.W.:
452.93