Compounds

ALA575632

Name:
(R)-5-(3-(2',6'-diisopropyl-2-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylpyriShow More⌵

Mol. Formula:
C28H34N4O

M.W.:
442.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA574741

Name:
(R)-6-methyl-5-(3-(3,4,5-trimethoxyphenyl)pent-1-ynyl)pyrimidine-2,4-diaminShow More⌵

Mol. Formula:
C19H24N4O3

M.W.:
356.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
105.51

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA575627

Name:
(R)-5-(3-(2,5-dimethoxyphenyl)-3-methoxyprop-1-ynyl)-6-methylpyrimidine-2,4Show More⌵

Mol. Formula:
C17H20N4O3

M.W.:
328.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
105.51

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA583184

Name:
(S)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(5-methoxybiphenyl-3-yl)prop-2Show More⌵

Mol. Formula:
C21H20N4O2

M.W.:
360.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
107.28

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA575185

Name:
(S)-5-(3-(5-methoxy-2'-methylbiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2Show More⌵

Mol. Formula:
C23H24N4O

M.W.:
372.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA585363

Name:
(S)-5-(3-(2,5-dimethoxyphenyl)-3-methoxyprop-1-ynyl)-6-methylpyrimidine-2,4Show More⌵

Mol. Formula:
C17H20N4O3

M.W.:
328.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
105.51

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA575394

Name:
(S)-5-(3-(2',6'-diisopropyl-5-methoxybiphenyl-3-yl)but-1-ynyl)-6-methylpyriShow More⌵

Mol. Formula:
C28H34N4O

M.W.:
442.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA574952

Name:
(R)-3-(2,4-diaminopyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol

Mol. Formula:
C16H18N4O4

M.W.:
330.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.75

Polar Surface Area:
125.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA574951

Name:
(S)-3-(2,4-diaminopyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol

Mol. Formula:
C16H18N4O4

M.W.:
330.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.75

Polar Surface Area:
125.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA573306

Name:
(S)-5-(3-(2-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine

Mol. Formula:
C22H22N4O

M.W.:
358.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA584164

Name:
(R)-5-(3-(5-methoxy-2'-methylbiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidine-2Show More⌵

Mol. Formula:
C23H24N4O

M.W.:
372.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA572856

Name:
(R)-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)pyrimidine-2,4-diamiShow More⌵

Mol. Formula:
C17H20N4O4

M.W.:
344.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
114.74

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA583704

Name:
(S)-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)pyrimidine-2,4-diamiShow More⌵

Mol. Formula:
C17H20N4O4

M.W.:
344.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
114.74

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA576976

Name:
(S)-5-(3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidShow More⌵

Mol. Formula:
C24H26N4O

M.W.:
386.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA574258

Name:
(R)-5-(3-(2',6'-diisopropyl-5-methoxybiphenyl-3-yl)but-1-ynyl)-6-methylpyriShow More⌵

Mol. Formula:
C28H34N4O

M.W.:
442.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.03

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA575410

Name:
(R)-5-(3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-ynyl)-6-methylpyrimidine-Show More⌵

Mol. Formula:
C18H22N4O4

M.W.:
358.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
114.74

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA573117

Name:
(R)-5-(3-(2-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylpyrimidine-2,4-diamine

Mol. Formula:
C22H22N4O

M.W.:
358.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA575626

Name:
(R)-3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2Show More⌵

Mol. Formula:
C17H20N4O4

M.W.:
344.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.06

Polar Surface Area:
125.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA591191

Name:
(S)-5-(3-methoxy-3-(5-methoxy-2-methylphenyl)prop-1-ynyl)-6-methylpyrimidinShow More⌵

Mol. Formula:
C17H20N4O2

M.W.:
312.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.01

Polar Surface Area:
96.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA573077

Name:
(R)-5-(3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-ynyl)-6-methylpyrimidShow More⌵

Mol. Formula:
C24H26N4O

M.W.:
386.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.40

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS