Compounds

Type:
---

AlogP:
1.84

Polar Surface Area:
132.09

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5209152

Name:
8-(4-(3-chloropropoxy)phenyl)-7-methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-diShow More⌵

Mol. Formula:
C21H27ClN4O3

M.W.:
418.93

Type:
---

AlogP:
3.39

Polar Surface Area:
71.05

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5208818

Name:
(E)-3-(3-((6-amino-4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)pShow More⌵

Mol. Formula:
C19H16N6O3

M.W.:
376.38

10 activity values

5 unique targets

Type:
---

AlogP:
2.24

Polar Surface Area:
132.09

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5208426

Name:
1-amino-N-isobutylbenzo[4,5]imidazo[1,2-a]pyrazine-3-carboxamide

Mol. Formula:
C15H17N5O

M.W.:
283.34

Type:
---

AlogP:
1.85

Polar Surface Area:
85.31

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5208415

Name:
1-amino-N-(pyridin-3-ylmethyl)benzo[4,5]imidazo[1,2-a]pyrazine-3-carboxamidShow More⌵

Mol. Formula:
C17H14N6O

M.W.:
318.34

6 activity values

Type:
---

AlogP:
1.79

Polar Surface Area:
98.20

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5208266

Name:
4-(4-Methoxyphenyl)quinazolin-2-amine

Mol. Formula:
C15H13N3O

M.W.:
251.29

Type:
---

AlogP:
2.89

Polar Surface Area:
61.03

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5208068

Name:
N-(3-chlorophenyl)-4-(methylsulfonyl)benzamide

Mol. Formula:
C14H12ClNO3S

M.W.:
309.77

8 activity values

5 unique targets

Type:
---

AlogP:
3.00

Polar Surface Area:
63.24

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.95

DETAILS

ALA5207324

Name:
6-(6-Amino-4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-N-hydroxyhexanaShow More⌵

Mol. Formula:
C15H18N6O3

M.W.:
330.35

Type:
---

AlogP:
1.73

Polar Surface Area:
132.09

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5207247

Name:
(E)-3-(4-((6-Amino-4-(furan-2-yl)-1H-pyrazolo1[3,4-d]pyrimidin-l-yl)methyl)Show More⌵

Mol. Formula:
C25H21N7O2

M.W.:
451.49

Type:
---

AlogP:
3.95

Polar Surface Area:
137.88

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5207175

Name:
N-benzyl-N-methyl-3-(6-phenylpyrimidin-4-ylamino)benzamide

Mol. Formula:
C25H22N4O

M.W.:
394.48

Type:
---

AlogP:
5.16

Polar Surface Area:
58.12

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5206639

Name:
(1R,15R,18S,19S,20R)-19-[(benzylamino)methyl]-1,3,11,12,14,15,16,17,18,19,2Show More⌵

Mol. Formula:
C27H33N3O

M.W.:
415.58

Type:
---

AlogP:
4.26

Polar Surface Area:
51.29

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5206624

Name:
1-amino-N-(4-methoxyphenethyl)benzo[4,5]imidazo[1,2-a]pyrazine-3-carboxamidShow More⌵

Mol. Formula:
C20H19N5O2

M.W.:
361.41

Type:
---

AlogP:
2.45

Polar Surface Area:
94.54

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5206530

Name:
6-Bromo-4-(furan-2-yl)quinazolin-2-amine

Mol. Formula:
C12H8BrN3O

M.W.:
290.12

Type:
---

AlogP:
3.23

Polar Surface Area:
64.94

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5206491

Name:
4-(4-Fluorophenyl)quinazolin-2-amine

Mol. Formula:
C14H10FN3

M.W.:
239.25

Type:
---

AlogP:
3.02

Polar Surface Area:
51.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5205993

Name:
6-(6-Amino-4-(5-methylfuran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-N-hydroShow More⌵

Mol. Formula:
C16H20N6O3

M.W.:
344.38

Type:
---

AlogP:
2.04

Polar Surface Area:
132.09

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5205560

Name:
4-(3-(6-Amino-4-(furan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propoxy)-N-(2Show More⌵

Mol. Formula:
C25H23N7O3

M.W.:
469.51

4 activity values

4 unique targets

Type:
---

AlogP:
3.97

Polar Surface Area:
147.11

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5204801

Name:
1-amino-N-(pyridin-2-yl)benzo[4,5]imidazo[1,2-a]pyrazine-3-carboxamide

Mol. Formula:
C16H12N6O

M.W.:
304.31

Type:
---

AlogP:
2.11

Polar Surface Area:
98.20

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5204735

Name:
7-(2-Amino-5-((6-amino-4-(5-methylfuran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1Show More⌵

Mol. Formula:
C24H29N7O4

M.W.:
479.54

4 activity values

4 unique targets

Type:
---

AlogP:
3.44

Polar Surface Area:
167.34

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

3-methylquinazoline-2,4(1H,3H)-dione

Name:
3-methylquinazoline-2,4(1H,3H)-dione

Mol. Formula:
C9H8N2O2

M.W.:
176.17

6 activity values

5 unique targets

Type:
---

AlogP:
0.23

Polar Surface Area:
54.86

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.62

DETAILS

ALA5204660

Name:
1-amino-N-(pyridin-3-yl)benzo[4,5]imidazo[1,2-a]pyrazine-3-carboxamide

Mol. Formula:
C16H12N6O

M.W.:
304.31