Compounds

6 unique targets

Type:
---

AlogP:
3.48

Polar Surface Area:
105.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5197539

Name:
2,4-diamino-6-((2S,5S)-2-(5-(5-methoxypyridin-3-yl)-4-oxo-3-phenyl-3,4-dihyShow More⌵

Mol. Formula:
C30H27N9O2

M.W.:
545.61

Type:
---

AlogP:
4.01

Polar Surface Area:
161.86

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5197366

Name:
2,4-diamino-6-((2S,5S)-2-(5-(1-(difluoromethyl)-1H-pyrazol-4-yl)-4-oxo-3-phShow More⌵

Mol. Formula:
C28H24F2N10O

M.W.:
554.57

Type:
---

AlogP:
4.20

Polar Surface Area:
157.56

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5196968

Name:
4-amino-6-((2S,3aS,7aS)-2-(5-chloro-4-oxo-3-(3-(trifluoromethoxy)phenyl)-3,Show More⌵

Mol. Formula:
C28H23ClF3N7O2

M.W.:
581.99

3 activity values

3 unique targets

Type:
---

AlogP:
5.69

Polar Surface Area:
122.95

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5196397

Name:
2,4-diamino-6-((2S,5S)-2-(5-(1-cyclopropyl-1H-pyrazol-4-yl)-4-oxo-3-phenyl-Show More⌵

Mol. Formula:
C30H28N10O

M.W.:
544.62

Type:
---

AlogP:
4.14

Polar Surface Area:
157.56

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5203895

Name:
2,4-diamino-6-((2S,5S)-2-(5-((3-methoxyphenyl)ethynyl)-4-oxo-3-phenyl-3,4-dShow More⌵

Mol. Formula:
C33H28N8O2

M.W.:
568.64

Type:
---

AlogP:
4.35

Polar Surface Area:
148.97

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5203434

Name:
2,4-diamino-6-((2S,5S)-2-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yShow More⌵

Mol. Formula:
C24H21ClN8O

M.W.:
472.94

12 activity values

Type:
---

AlogP:
3.60

Polar Surface Area:
139.74

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5202874

Name:
2,4-diamino-6-((2S,5S)-2-methyl-5-(4-oxo-3-phenyl-5-(pyrimidin-5-yl)-3,4-diShow More⌵

Mol. Formula:
C28H24N10O

M.W.:
516.57

Type:
---

AlogP:
3.40

Polar Surface Area:
165.52

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5202777

Name:
2,4-diamino-6-((2S,5S)-2-(7-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazShow More⌵

Mol. Formula:
C23H20FN9O

M.W.:
457.47

Type:
---

AlogP:
2.48

Polar Surface Area:
152.63

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5202278

Name:
2,4-diamino-6-((2S,5S)-2-(8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazShow More⌵

Mol. Formula:
C23H20FN9O

M.W.:
457.47

Type:
---

AlogP:
2.48

Polar Surface Area:
152.63

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5202171

Name:
2,4-diamino-6-((2S,5S)-2-(5-(5-ethoxypyridin-3-yl)-4-oxo-3-phenyl-3,4-dihydShow More⌵

Mol. Formula:
C31H29N9O2

M.W.:
559.63

Type:
---

AlogP:
4.40

Polar Surface Area:
161.86

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5201929

Name:
2-Amino-N-[(R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2Show More⌵

Mol. Formula:
C24H23F5N6O4

M.W.:
554.48

5 unique targets

Type:
---

AlogP:
2.99

Polar Surface Area:
135.08

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5200020

Name:
2,4-diamino-6-((2S,5S)-2-(5-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazShow More⌵

Mol. Formula:
C23H20FN9O

M.W.:
457.47

Type:
---

AlogP:
2.48

Polar Surface Area:
152.63

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5199292

Name:
2,4-diamino-6-((2S,5S)-2-methyl-5-(4-oxo-3-phenyl-5-(thiophen-3-ylethynyl)-Show More⌵

Mol. Formula:
C30H24N8OS

M.W.:
544.64

Type:
---

AlogP:
4.40

Polar Surface Area:
139.74

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5272755

Name:
1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

Mol. Formula:
C10H11N3O4S

M.W.:
269.28

Type:
---

AlogP:
-1.12

Polar Surface Area:
104.16

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5207220

Name:
2,4-diamino-6-((2S,5S)-2-(5-(5-methoxypyridin-3-yl)-4-oxo-3-(pyridin-3-yl)-Show More⌵

Mol. Formula:
C29H26N10O2

M.W.:
546.60

Type:
---

AlogP:
3.41

Polar Surface Area:
174.75

HBA:
12

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5206762

Name:
2,4-diamino-6-((2S,5S)-2-methyl-5-(4-oxo-3-phenyl-5-(p-tolylethynyl)-3,4-diShow More⌵

Mol. Formula:
C33H28N8O

M.W.:
552.64

Type:
---

AlogP:
4.65

Polar Surface Area:
139.74

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5195991

Name:
5-chloro-2-((2S,5S)-1-(2-fluoro-9H-purin-6-yl)-5-methylpyrrolidin-2-yl)-3-pShow More⌵

Mol. Formula:
C24H19ClFN7O

M.W.:
475.92

Type:
---

AlogP:
4.57

Polar Surface Area:
92.59

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5194893

Name:
2,4-diamino-6-((2S,5S)-2-methyl-5-(4-oxo-3-phenyl-5-(pyridin-3-yl)-3,4-dihyShow More⌵

Mol. Formula:
C29H25N9O

M.W.:
515.58