Compounds

Type:
Unknown

AlogP:
2.03

Polar Surface Area:
121.19

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4299209

Name:
tetraammonium 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-({[({[(R)-{[(2R,3S,4R,5R)-5Show More⌵

Mol. Formula:
C22H46B2N14O19P4

M.W.:
956.21

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4103454

Name:
5-((1-(2-(trifluoromethoxy)benzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diShow More⌵

Mol. Formula:
C22H24F3N5O2

M.W.:
447.46

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
99.52

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4102384

Name:
3-((2,4-diamino-7-methylquinazolin-5-yl)methoxy)-5-fluorobenzonitrile

Mol. Formula:
C17H14FN5O

M.W.:
323.33

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
110.84

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4100442

Name:
5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)-7-methylquinazoline-2,4-diamiShow More⌵

Mol. Formula:
C22H26FN5O

M.W.:
395.48

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
90.29

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4093512

Name:
5-((1-(2,6-dichlorobenzyl)piperidin-4-yl)methoxy)-7-methylquinazoline-2,4-dShow More⌵

Mol. Formula:
C22H25Cl2N5O

M.W.:
446.38

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
90.29

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4090641

Name:
(R)-5-((1-Methoxypropan-2-yl)oxy)quinazoline-2,4-diamine

Mol. Formula:
C12H16N4O2

M.W.:
248.29

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
96.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4085817

Name:
[125I]-(4-((2,4-diaminoquinazolin-5-yloxy)methyl)piperidin-1-yl)(3-iodophenShow More⌵

Mol. Formula:
C21H22IN5O2

M.W.:
501.34

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
107.36

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4084161

Name:
(S)-5-((1-Methoxypropan-2-yl)oxy)quinazoline-2,4-diamine

Mol. Formula:
C12H16N4O2

M.W.:
248.29

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
96.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4080254

Name:
5-((1-benzylpiperidin-4-yl)methoxy)quinazoline-2,4-diamine

Mol. Formula:
C21H25N5O

M.W.:
363.47

Type:
Small molecule

AlogP:
3.09

Polar Surface Area:
90.29

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4077061

Name:
3-((2,4-Diaminoquinazolin-5-yl)methoxy)-5-fluorobenzonitrile

Mol. Formula:
C16H12FN5O

M.W.:
309.30

13 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.38

Polar Surface Area:
110.84

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4075512

Name:
7-methyl-5-((tetrahydro-2H-pyran-4-yl)methoxy)quinazoline-2,4-diamine

Mol. Formula:
C15H20N4O2

M.W.:
288.35

Type:
Small molecule

AlogP:
1.91

Polar Surface Area:
96.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4075292

Name:
5-((3-methyloxetan-3-yl)methoxy)quinazoline-2,4-diamine

Mol. Formula:
C13H16N4O2

M.W.:
260.30

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
96.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4072481

Name:
5-(((Tetrahydro-2H-pyran-4-yl)oxy)methyl)quinazoline-2,4-diamine

Mol. Formula:
C14H18N4O2

M.W.:
274.32

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
96.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4068466

Name:
5-((tetrahydro-2H-pyran-4-yl)methoxy)quinazoline-2,4-diamine

Mol. Formula:
C14H18N4O2

M.W.:
274.32

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
96.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4062544

Name:
5-((3-fluorophenoxy)methyl)quinazoline-2,4-diamine

Mol. Formula:
C15H13FN4O

M.W.:
284.29

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
87.05

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3350625

Name:
m2(7,2'-O)GpppNHpG

Mol. Formula:
C22H30N11Na3O20P4

M.W.:
961.40

12 activity values

6 unique targets

Type:
Small molecule

AlogP:
-4.84

Polar Surface Area:
459.53

HBA:
24

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3350619

Name:
m2(7,2'-O)GppppG

Mol. Formula:
C22H32N10O21P4

M.W.:
896.44

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
-4.00

Polar Surface Area:
456.99

HBA:
26

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3350617

Name:
m2(7,2'-O)GpppG

Mol. Formula:
C22H31N10O18P3

M.W.:
816.46