Compounds

ALA5272400

Name:
5-((E)-2-((2S,3S)-3-(3,5-difluoro-4-hydroxyphenyl)-2-(hydroxymethyl)-2,3-diShow More⌵

Mol. Formula:
C23H18F2O6

M.W.:
428.39

Type:
---

AlogP:
4.13

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5272357

Name:
3-(cyanomethylamino)benzo[e][1,2,4]triazine 1-oxide

Mol. Formula:
C9H7N5O

M.W.:
201.19

Type:
---

AlogP:
0.20

Polar Surface Area:
88.54

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5272299

Name:
(2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydrobenzShow More⌵

Mol. Formula:
C18H18O7

M.W.:
346.34

Type:
---

AlogP:
2.10

Polar Surface Area:
94.45

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5271761

Name:
methyl 4-(2-((2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,Show More⌵

Mol. Formula:
C27H26O8

M.W.:
478.50

Type:
---

AlogP:
4.24

Polar Surface Area:
103.68

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5271578

Name:
7'-amino-2',4',12-trioxo-1',2',3',4'-tetrahydro-12H-spiro[indolo[2,1-b]quinShow More⌵

Mol. Formula:
C22H12N6O4

M.W.:
424.38

Type:
---

AlogP:
0.50

Polar Surface Area:
159.65

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5271495

Name:
2-((4-(3-(2,6-dichlorophenyl)acryloyl)benzyl)oxy)-N-((3R,5aS,6R,8aS,9R,10S,Show More⌵

Mol. Formula:
C33H37Cl2NO7

M.W.:
630.57

Type:
---

AlogP:
6.73

Polar Surface Area:
92.32

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5270604

Name:
2-((4-(3-(2,3-dichlorophenyl)acryloyl)benzyl)oxy)-N-((3R,5aS,6R,8aS,9R,10R,Show More⌵

Mol. Formula:
C33H37Cl2NO7

M.W.:
630.56

Type:
---

AlogP:
6.73

Polar Surface Area:
92.32

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5270246

Name:
2-((4-(3-(4-chloro-2-fluorophenyl)acryloyl)benzyl)oxy)-N-((3R,5aS,6R,8aS,9RShow More⌵

Mol. Formula:
C33H37ClFNO7

M.W.:
614.11

Type:
---

AlogP:
6.22

Polar Surface Area:
92.32

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5270206

Name:
4-((2R,3R)-3-(hydroxymethyl)-7-(2-(4-methylquinazolin-2-yl)vinyl)-2,3-dihydShow More⌵

Mol. Formula:
C28H26N2O6

M.W.:
486.52

Type:
---

AlogP:
4.70

Polar Surface Area:
103.16

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5269666

Name:
7-(2-chloro-4-fluorophenyl)-5-(1H-indol-3-yl)imidazo[1,2-a]pyridine-8-carboShow More⌵

Mol. Formula:
C22H12ClFN4

M.W.:
386.82

Type:
---

AlogP:
5.81

Polar Surface Area:
56.88

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5269227

Name:
5-(2-((2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-2,3-dihydShow More⌵

Mol. Formula:
C25H26O8

M.W.:
454.48

Type:
---

AlogP:
3.48

Polar Surface Area:
117.84

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5268910

Name:
4-((diethoxyphosphoryl)oxy)butyl (Z)-2-(5-fluoro-2-methyl-1-(4-(methylsulfiShow More⌵

Mol. Formula:
C28H34FO7PS

M.W.:
564.61

Type:
---

AlogP:
6.80

Polar Surface Area:
94.12

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA5268698

Name:
N-(((2S,3S)-6-(3,5-dihydroxystyryl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dShow More⌵

Mol. Formula:
C33H31NO10S

M.W.:
633.68

Type:
---

AlogP:
5.36

Polar Surface Area:
160.85

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5268571

Name:
(2R,3R,4S,5S,6R)-2-(((2S,3S)-6-((E)-3,5-dihydroxystyryl)-3-(4-hydroxy-3,5-dShow More⌵

Mol. Formula:
C31H34O13

M.W.:
614.60

Type:
---

AlogP:
1.69

Polar Surface Area:
196.99

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5268246

Name:
4-((4-(2-(N-phenylsulfamoyl)vinyl)phenoxy)methyl)-N-(2-(((3R,5aS,6R,8aS,9R,Show More⌵

Mol. Formula:
C39H46N2O9S

M.W.:
718.87

Type:
---

AlogP:
6.63

Polar Surface Area:
130.65

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5268225

Name:
5-(2-((2S,3S)-2-(aminomethyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydroShow More⌵

Mol. Formula:
C25H25NO7

M.W.:
451.48

Type:
---

AlogP:
3.83

Polar Surface Area:
123.63

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5268204

Name:
Ethyl 5-(5-bromo-2-hydroxyphenyl)-3-cyano-2-(cyanomethyl)-7-methyl-4,5-dihyShow More⌵

Mol. Formula:
C19H16BrN5O3

M.W.:
442.27

Type:
---

AlogP:
3.25

Polar Surface Area:
123.96

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5268015

Name:
4-((4-(2-(N-(o-tolyl)sulfamoyl)vinyl)phenoxy)methyl)-N-(2-(((3R,5aS,6R,8aS,Show More⌵

Mol. Formula:
C40H48N2O9S

M.W.:
732.90

Type:
---

AlogP:
6.94

Polar Surface Area:
130.65

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5282388

Name:
3-(2-((4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethyShow More⌵

Mol. Formula:
C24H21N5OS

M.W.:
427.53

Type:
---

AlogP:
5.15

Polar Surface Area:
68.62

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5282379

Name:
4-((4-(2-(N-(2-fluoro-5-methylphenyl)sulfamoyl)vinyl)phenoxy)methyl)-N-(2-(Show More⌵

Mol. Formula:
C40H47FN2O9S

M.W.:
750.89

Type:
---

AlogP:
7.08

Polar Surface Area:
130.65

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS