Compounds

ALA1922017

Name:
N4,N4-diethyl-N6-(3-fluoro-4-methoxyphenyl)-N2-(4-methoxyphenyl)pyrimidine-Show More⌵

Mol. Formula:
C22H26FN5O2

M.W.:
411.48

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
71.54

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA1922014

Name:
N4-(3-chloro-4-fluorophenyl)-N2-(4-methoxyphenyl)-6-(piperidin-1-yl)pyrimidShow More⌵

Mol. Formula:
C22H23ClFN5O

M.W.:
427.91

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.76

Polar Surface Area:
62.31

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA1922013

Name:
N4-(3-fluoro-2-methylphenyl)-N2-(4-methoxyphenyl)-6-(piperidin-1-yl)pyrimidShow More⌵

Mol. Formula:
C23H26FN5O

M.W.:
407.49

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
62.31

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1922012

Name:
N4-(4-fluoro-2-methylphenyl)-N2-(4-methoxyphenyl)-6-(piperidin-1-yl)pyrimidShow More⌵

Mol. Formula:
C23H26FN5O

M.W.:
407.49

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.41

Polar Surface Area:
62.31

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1922011

Name:
N2-(4-methoxyphenyl)-6-(piperidin-1-yl)-N4-(3-(trifluoromethyl)benzyl)pyrimShow More⌵

Mol. Formula:
C24H26F3N5O

M.W.:
457.50

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
62.31

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1922010

Name:
N4-(3-fluoro-4-methoxyphenyl)-N2-(4-methoxyphenyl)-6-(piperidin-1-yl)pyrimiShow More⌵

Mol. Formula:
C23H26FN5O2

M.W.:
423.49

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
71.54

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1922009

Name:
N4-(3-(difluoromethoxy)phenyl)-N2-(4-methoxyphenyl)-6-(piperidin-1-yl)pyrimShow More⌵

Mol. Formula:
C23H25F2N5O2

M.W.:
441.48

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
71.54

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1922008

Name:
N2-(4-methoxyphenyl)-6-(piperidin-1-yl)-N4-(4-(trifluoromethyl)phenyl)pyrimShow More⌵

Mol. Formula:
C23H24F3N5O

M.W.:
443.47

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
62.31

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1922007

Name:
N2-(4-methoxyphenyl)-6-(piperidin-1-yl)-N4-(4-(trifluoromethoxy)phene-yl)pyShow More⌵

Mol. Formula:
C23H24F3N5O2

M.W.:
459.47

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
71.54

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1922006

Name:
N2-(4-methoxyphenyl)-6-(piperidin-1-yl)-N4-(3-(trifluoromethoxy)phenyl)pyriShow More⌵

Mol. Formula:
C23H24F3N5O2

M.W.:
459.47

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.86

Polar Surface Area:
71.54

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1922005

Name:
N4-(2,5-dimethylphenyl)-N2-(4-methoxyphenyl)-6-(piperidin-1-yl)pyrimidine-2Show More⌵

Mol. Formula:
C24H29N5O

M.W.:
403.53

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
62.31

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1922004

Name:
N4-(2,4-dimethylphenyl)-N2-(4-methoxyphenyl)-6-(piperidin-1-yl)pyrimidine-2Show More⌵

Mol. Formula:
C24H29N5O

M.W.:
403.53

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
62.31

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1921994

Name:
N4,N6-bis(4-methoxyphenyl)-2-(pyrrolidin-1-yl)pyrimidine-4,6-diamine

Mol. Formula:
C22H25N5O2

M.W.:
391.48

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
71.54

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1921990

Name:
N4-(benzo[d][1,3]dioxol-5-ylmethyl)-N6-phenyl-2-(piperidin-1-yl)pyrimidine-Show More⌵

Mol. Formula:
C23H25N5O2

M.W.:
403.49

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
71.54

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA1921988

Name:
N4-(4-(difluoromethoxy)phenyl)-N6-phenyl-2-(piperidin-1-yl)pyrimidine-4,6-dShow More⌵

Mol. Formula:
C22H23F2N5O

M.W.:
411.46

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.56

Polar Surface Area:
62.31

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1921901

Name:
N4-(2,5-dimethylphenyl)-N6-phenyl-2-(piperidin-1-yl)pyrimidine-4,6-diamine

Mol. Formula:
C23H27N5

M.W.:
373.50

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
53.08

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA525055

Name:
(S)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S)-2-((S)-2-((2S,3R)-2-((SShow More⌵

Mol. Formula:
C88H144N24O21

M.W.:
1874.27

7 activity values

5 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA526862

Name:
(S)-1-(2-((S)-2-((S)-2-((S)-2-(2-((S)-2-((S)-2-((S)-2-((S)-2-((2S,3R)-2-((SShow More⌵

Mol. Formula:
C95H150N22O21

M.W.:
1936.38

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA508083

Name:
GWTLNSAGYLLGPHAV-NH2

Mol. Formula:
C77H115N21O20

M.W.:
1654.89

13 activity values

5 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA501079

Name:
galanin

Mol. Formula:
C146H213N43O40

M.W.:
3210.57

17 activity values

3 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS