Compounds

Type:
Unknown

AlogP:
5.26

Polar Surface Area:
127.40

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4647104

Name:
(S)-isopropyl 2-((S)-(((2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-3,4-dihyShow More⌵

Mol. Formula:
C22H28BrClN3O10P

M.W.:
640.81

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
167.41

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4645615

Name:
[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-2,4-difluoro-3-hyShow More⌵

Mol. Formula:
C12H14F2N5O13P3

M.W.:
567.18

Type:
Unknown

AlogP:
-1.06

Polar Surface Area:
278.87

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4645241

Name:
2-(4-fluorophenyl)-5-[3-[(1R)-1-(4-fluorophenyl)-2-methoxy-ethyl]-2-methyl-Show More⌵

Mol. Formula:
C36H32F2N4O6S

M.W.:
686.74

Type:
Unknown

AlogP:
6.05

Polar Surface Area:
123.74

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4644867

Name:
(2S)-2-((((2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-3,4-dihydropyrimidin-Show More⌵

Mol. Formula:
C23H30BrClN3O10P

M.W.:
654.84

Type:
Unknown

AlogP:
2.13

Polar Surface Area:
167.41

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4644488

Name:
(S)-ethyl 2-((S)-(((2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-3,4-dihydropShow More⌵

Mol. Formula:
C20H24BrClN3O9P

M.W.:
596.76

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
158.18

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4644026

Name:
2-(4-fluorophenyl)-5-[3-[(1S)-1-(4-fluorophenyl)-2-methoxy-ethyl]-2-methyl-Show More⌵

Mol. Formula:
C36H32F2N4O6S

M.W.:
686.74

Type:
Unknown

AlogP:
6.05

Polar Surface Area:
123.74

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4643882

Name:
5-[3-[(4-fluoro-2-methoxy-phenyl)methyl]-2-methyl-4-oxo-quinazolin-6-yl]-2-Show More⌵

Mol. Formula:
C35H30F2N4O6S

M.W.:
672.71

Type:
Unknown

AlogP:
5.88

Polar Surface Area:
123.74

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4642954

Name:
(2S)-1-methoxypropan-2-yl 2-((((2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-Show More⌵

Mol. Formula:
C22H28BrClN3O10P

M.W.:
640.81

19 activity values

Type:
Unknown

AlogP:
1.88

Polar Surface Area:
167.41

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4641646

Name:
[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-chloro-3-hydroxy-4-methylShow More⌵

Mol. Formula:
C11H17ClN5O13P3

M.W.:
555.65

6 activity values

4 unique targets

Type:
Unknown

AlogP:
-0.70

Polar Surface Area:
278.87

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4641600

Name:
5-[3-[(2,4-difluorophenyl)methyl]-2-methyl-4-oxo-quinazolin-6-yl]-2-(4-fluoShow More⌵

Mol. Formula:
C34H27F3N4O5S

M.W.:
660.67

Type:
Unknown

AlogP:
6.01

Polar Surface Area:
114.51

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4641335

Name:
(S)-isopropyl 2-((S)-(((2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-3,4-dihyShow More⌵

Mol. Formula:
C25H28BrClN3O9P

M.W.:
660.84

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
158.18

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4641216

Name:
2-hydroxy-1-oxo-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Mol. Formula:
C16H13NO4

M.W.:
283.28

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
77.84

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4640738

Name:
2-(8-chloro-5-ethyl-1-propyl-1,3,4,4a,9,9a-hexahydropyrano[3,4-b]indol-1-ylShow More⌵

Mol. Formula:
C18H24ClNO3

M.W.:
337.85

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4640290

Name:
[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2,4-difluoro-3-hydroxy-4-meShow More⌵

Mol. Formula:
C11H16F2N5O13P3

M.W.:
557.19

4 unique targets

Type:
Unknown

AlogP:
-0.67

Polar Surface Area:
278.87

HBA:
13

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4640222

Name:
(2S)-2-((((2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxo-3,4-dihydropyrimidin-Show More⌵

Mol. Formula:
C21H26BrClN3O10P

M.W.:
626.78

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
167.41

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4639840

Name:
[[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-chloro-3-fluoro-4-methyl-Show More⌵

Mol. Formula:
C11H16ClFN5O12P3

M.W.:
557.65