Compounds

ALA5282126

Name:
1-(2,2-diphosphonoethyl)-3-(undecyloxy)pyridin-1-ium

Mol. Formula:
C18H34NO7P2+

M.W.:
438.42

Type:
---

AlogP:
3.57

Polar Surface Area:
128.17

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5275415

Name:
(1-((3,7-dimethylocta-2,6-dien-1-yl)oxy)-4,8-dimethylnona-3,7-diene-1,1-diyShow More⌵

Mol. Formula:
C21H38O7P2

M.W.:
464.48

Type:
---

AlogP:
5.79

Polar Surface Area:
124.29

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5272025

Name:
2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene-8,8-diyl)diphosphonic acid

Mol. Formula:
C20H36O6P2

M.W.:
434.45

Type:
---

AlogP:
5.81

Polar Surface Area:
115.06

HBA:
2

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5094672

Name:
(((2-(3-(4-(trifluoromethyl)benzamido)phenyl)thieno[2,3-d]pyrimidin-4-yl)amShow More⌵

Mol. Formula:
C21H17F3N4O7P2S

M.W.:
588.40

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
181.97

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5094424

Name:
(((2-(3-(3-(4-fluorophenyl)ureido)phenyl)thieno[2,3-d]pyrimidin-4-yl)amino)Show More⌵

Mol. Formula:
C20H18FN5O7P2S

M.W.:
553.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
194.00

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5092247

Name:
(((2-(3-(3-bromo-4-methoxybenzamido)phenyl)thieno[2,3-d]pyrimidin-4-yl)aminShow More⌵

Mol. Formula:
C21H19BrN4O8P2S

M.W.:
629.32

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
191.20

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5089506

Name:
(R)-(((2-(3-(2-isopropoxy-2-phenylacetamido)phenyl)thieno[2,3-d]pyrimidin-4Show More⌵

Mol. Formula:
C24H26N4O8P2S

M.W.:
592.51

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
191.20

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5088555

Name:
(((2-(3-(3-fluoro-4-methoxybenzamido)phenyl)thieno[2,3-d]pyrimidin-4-yl)amiShow More⌵

Mol. Formula:
C21H19FN4O8P2S

M.W.:
568.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
191.20

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5088349

Name:
(S)-(((2-(3-(2-(3-fluoro-4-methoxyphenyl)-2-isopropoxyacetamido)phenyl)thieShow More⌵

Mol. Formula:
C25H27FN4O9P2S

M.W.:
640.52

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
200.43

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5088273

Name:
(((2-(3-(5-(trifluoromethyl)picolinamido)phenyl)thieno[2,3-d]pyrimidin-4-ylShow More⌵

Mol. Formula:
C20H16F3N5O7P2S

M.W.:
589.39

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
194.86

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5087030

Name:
(((2-(3-((3-bromo-4-methylphenyl)carbamoyl)phenyl)thieno[2,3-d]pyrimidin-4-Show More⌵

Mol. Formula:
C21H19BrN4O7P2S

M.W.:
613.32

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
181.97

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5085126

Name:
(((2-(3-(3-fluoro-4-methylphenylsulfonamido)phenyl)thieno[2,3-d]pyrimidin-4Show More⌵

Mol. Formula:
C20H19FN4O8P2S2

M.W.:
588.47

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
199.04

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5084276

Name:
(((2-(3-(2-(pyridin-3-yl)acetamido)phenyl)thieno[2,3-d]pyrimidin-4-yl)aminoShow More⌵

Mol. Formula:
C20H19N5O7P2S

M.W.:
535.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
194.86

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5083916

Name:
(((2-(3-(N-(3-fluoro-4-methoxyphenyl)sulfamoyl)phenyl)thieno[2,3-d]pyrimidiShow More⌵

Mol. Formula:
C20H19FN4O9P2S2

M.W.:
604.47

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
208.27

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5082291

Name:
(S)-(((2-(3-(2-methoxy-2-phenylacetamido)phenyl)thieno[2,3-d]pyrimidin-4-ylShow More⌵

Mol. Formula:
C22H22N4O8P2S

M.W.:
564.45

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
191.20

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5082193

Name:
(R)-(((2-(3-(2-(3-fluoro-4-methoxyphenyl)-2-isopropoxyacetamido)phenyl)thieShow More⌵

Mol. Formula:
C25H27FN4O9P2S

M.W.:
640.52

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
200.43

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA5081807

Name:
(R)-(((2-(3-(2-methoxy-2-phenylacetamido)phenyl)thieno[2,3-d]pyrimidin-4-ylShow More⌵

Mol. Formula:
C22H22N4O8P2S

M.W.:
564.45

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
191.20

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5080782

Name:
(((2-(3-(3-fluoro-4-methoxyphenylsulfonamido)phenyl)thieno[2,3-d]pyrimidin-Show More⌵

Mol. Formula:
C20H19FN4O9P2S2

M.W.:
604.47

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
208.27

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5080121

Name:
(((2-(3-(3-(3-fluoro-4-methoxyphenyl)ureido)phenyl)thieno[2,3-d]pyrimidin-4Show More⌵

Mol. Formula:
C21H20FN5O8P2S

M.W.:
583.43

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
203.23

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5077349

Name:
(((2-(3-(3-fluoro-4-methylbenzamido)phenyl)thieno[2,3-d]pyrimidin-4-yl)aminShow More⌵

Mol. Formula:
C21H19FN4O7P2S

M.W.:
552.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
181.97

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.18

DETAILS