Compounds

Type:
Small molecule

AlogP:
0.92

Polar Surface Area:
125.74

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA141781

Name:
5-[1-(3,4,5-Trimethoxy-phenyl)-ethyl]-pyrimidine-2,4-diamine

Mol. Formula:
C15H20N4O3

M.W.:
304.35

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.82

Polar Surface Area:
105.51

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA326717

Name:
6,6-Dimethyl-1-phenethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine

Mol. Formula:
C13H19N5

M.W.:
245.33

Type:
Small molecule

AlogP:
0.91

Polar Surface Area:
80.00

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA117464

Name:
6,6-Dimethyl-1-(3-phenyl-propyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine

Mol. Formula:
C14H21N5

M.W.:
259.36

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
80.00

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA325653

Name:
1,6,6-Trimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine

Mol. Formula:
C6H13N5

M.W.:
155.21

Type:
Small molecule

AlogP:
-0.70

Polar Surface Area:
80.00

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA116028

Name:
1-Benzyl-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine

Mol. Formula:
C12H17N5

M.W.:
231.30

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.87

Polar Surface Area:
80.00

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA119079

Name:
3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid

Mol. Formula:
C12H15N5O2

M.W.:
261.29

Type:
Small molecule

AlogP:
0.57

Polar Surface Area:
117.30

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA326709

Name:
4-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzoic acid

Mol. Formula:
C12H15N5O2

M.W.:
261.29

20 activity values

15 unique targets

Type:
Small molecule

AlogP:
0.57

Polar Surface Area:
117.30

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA116451

Name:
6,6-Dimethyl-1-propyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine

Mol. Formula:
C8H17N5

M.W.:
183.26

Type:
Small molecule

AlogP:
0.08

Polar Surface Area:
80.00

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA58079

Name:
5-(2,2,4-Trimethyl-1,2-dihydro-quinolin-6-ylmethyl)-pyrimidine-2,4-diamine

Mol. Formula:
C17H21N5

M.W.:
295.39

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
89.85

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA300545

Name:
5-(2,2,4-Trimethyl-8-methylsulfanyl-1,2-dihydro-quinolin-6-ylmethyl)-pyrimiShow More⌵

Mol. Formula:
C18H23N5S

M.W.:
341.48

15 activity values

15 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
89.85

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA60827

Name:
5-(7,9,9-Trimethyl-9,10-dihydro-[1,10]phenanthrolin-5-ylmethyl)-pyrimidine-Show More⌵

Mol. Formula:
C20H22N6

M.W.:
346.44

15 activity values

15 unique targets

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
102.74

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA61305

Name:
Acetic acid 2-[6-(2,4-diamino-pyrimidin-5-ylmethyl)-8-methoxy-2,2,4-trimethShow More⌵

Mol. Formula:
C22H29N5O3

M.W.:
411.51

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
116.59

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA60647

Name:
5-(8-Methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydro-quinolin-6-ylmethyl)-pyrimiShow More⌵

Mol. Formula:
C18H25N5O

M.W.:
327.43

13 activity values

13 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
99.08

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA300385

Name:
5-(8-Methoxy-1,2,2,4-tetramethyl-1,2-dihydro-quinolin-6-ylmethyl)-pyrimidinShow More⌵

Mol. Formula:
C19H25N5O

M.W.:
339.44

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
90.29

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA294678

Name:
5-(8-Chloro-2,2,4-trimethyl-1,2-dihydro-quinolin-6-ylmethyl)-pyrimidine-2,4Show More⌵

Mol. Formula:
C17H20ClN5

M.W.:
329.84

14 activity values

14 unique targets

Type:
Small molecule

AlogP:
3.49

Polar Surface Area:
89.85

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA300371

Name:
5-(8-Ethyl-2,2,4-trimethyl-1,2-dihydro-quinolin-6-ylmethyl)-pyrimidine-2,4-Show More⌵

Mol. Formula:
C19H25N5

M.W.:
323.44

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
89.85

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA418492

Name:
5-(8-Methoxy-2,2,4-trimethyl-1,2-dihydro-quinolin-6-ylmethyl)-pyrimidine-2,Show More⌵

Mol. Formula:
C18H23N5O

M.W.:
325.42

16 activity values

16 unique targets

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
99.08

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA58138

Name:
5-(8-Ethoxy-2,2,4-trimethyl-1,2-dihydro-quinolin-6-ylmethyl)-pyrimidine-2,4Show More⌵

Mol. Formula:
C19H25N5O

M.W.:
339.44

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
99.08

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA300370

Name:
5-(2,2,4,8-Tetramethyl-1,2-dihydro-quinolin-6-ylmethyl)-pyrimidine-2,4-diamShow More⌵

Mol. Formula:
C18H23N5

M.W.:
309.42