Compounds

Type:
---

AlogP:
4.45

Polar Surface Area:
92.32

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5221074

Name:
6-acetyl-8-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pteriShow More⌵

Mol. Formula:
C25H31N7O3

M.W.:
477.57

Type:
---

AlogP:
3.01

Polar Surface Area:
105.48

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5221054

Name:
8-cyclopentyl-6-(2-furyl)-2-(4-morpholinoanilino)pteridin-7-one

Mol. Formula:
C25H26N6O3

M.W.:
458.52

Type:
---

AlogP:
4.14

Polar Surface Area:
98.31

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5221016

Name:
6-acetyl-8-cyclopentyl-2-[4-(4-ethylpiperazin-1-yl)-2-(hydroxymethyl)anilinShow More⌵

Mol. Formula:
C26H33N7O3

M.W.:
491.60

Type:
---

AlogP:
2.88

Polar Surface Area:
116.48

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5220828

Name:
6-acetyl-8-cyclopentyl-2-(4-morpholinoanilino)pteridin-7-one

Mol. Formula:
C23H26N6O3

M.W.:
434.50

Type:
---

AlogP:
3.08

Polar Surface Area:
102.24

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5220823

Name:
6-acetyl-8-cyclopentyl-2-[4-(4-ethylpiperazin-1-yl)anilino]pteridin-7-one

Mol. Formula:
C25H31N7O2

M.W.:
461.57

34 activity values

10 unique targets

Type:
---

AlogP:
3.39

Polar Surface Area:
96.25

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5220759

Name:
6-acetyl-8-cyclopentyl-2-[4-(1-piperidyl)anilino]pteridin-7-one

Mol. Formula:
C24H28N6O2

M.W.:
432.53

Type:
---

AlogP:
4.24

Polar Surface Area:
93.01

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5220597

Name:
6-acetyl-8-cyclopentyl-2-[4-[4-(4-methylpiperazin-1-yl)-1-piperidyl]anilinoShow More⌵

Mol. Formula:
C29H38N8O2

M.W.:
530.68

Type:
---

AlogP:
3.46

Polar Surface Area:
99.49

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5220252

Name:
6-acetyl-8-cyclopentyl-2-(4-pyrrolidin-1-ylanilino)pteridin-7-one

Mol. Formula:
C23H26N6O2

M.W.:
418.50

Type:
---

AlogP:
3.85

Polar Surface Area:
93.01

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5220201

Name:
6-acetyl-8-cyclopentyl-2-[4-(4-cyclopentylpiperazin-1-yl)anilino]pteridin-7Show More⌵

Mol. Formula:
C28H35N7O2

M.W.:
501.64

Type:
---

AlogP:
4.31

Polar Surface Area:
96.25

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5218932

Name:
6-acetyl-2-[2-amino-4-(4-ethylpiperazin-1-yl)anilino]-8-cyclopentyl-pteridiShow More⌵

Mol. Formula:
C25H32N8O2

M.W.:
476.59

Type:
---

AlogP:
2.97

Polar Surface Area:
122.27

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5218782

Name:
6-acetyl-8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]pteridin-7-one

Mol. Formula:
C24H29N7O2

M.W.:
447.54

10 activity values

10 unique targets

Type:
---

AlogP:
3.00

Polar Surface Area:
96.25

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5208357

Name:
2-(2-chlorophenyl)-5,7-dihydroxy-8-((3R,4R)-4-hydroxy-1-methylpiperidin-3-yShow More⌵

Mol. Formula:
C21H22ClNO5

M.W.:
403.86

Type:
---

AlogP:
3.24

Polar Surface Area:
90.23

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5194888

Name:
2-(2-chlorophenyl)-5,7-dihydroxy-8-((3R,4S)-4-hydroxy-1-methylpiperidin-3-yShow More⌵

Mol. Formula:
C21H22ClNO5

M.W.:
403.86

Type:
---

AlogP:
3.24

Polar Surface Area:
90.23

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5193922

Name:
5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methylpiperidin-4-yl)-2-phenylchroman-Show More⌵

Mol. Formula:
C21H23NO5

M.W.:
369.42

Type:
---

AlogP:
2.58

Polar Surface Area:
90.23

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5192860

Name:
2-cyclohexyl-5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methylpiperidin-4-yl)chroShow More⌵

Mol. Formula:
C21H29NO5

M.W.:
375.47

Type:
---

AlogP:
2.79

Polar Surface Area:
90.23

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5191760

Name:
5,7-dihydroxy-8-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-2-phenyl-2,3-dihyShow More⌵

Mol. Formula:
C21H22N2O3

M.W.:
350.42

Type:
---

AlogP:
3.56

Polar Surface Area:
72.80

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5189485

Name:
3-(2-chlorophenyl)-6,8-dihydroxy-5-(1-methyl-1,2,3,6-tetrahydropyridin-4-ylShow More⌵

Mol. Formula:
C21H20ClNO4

M.W.:
385.85

Type:
---

AlogP:
3.92

Polar Surface Area:
70.00

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5174604

Name:
5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methylpiperidin-4-yl)-2-(pyridin-4-yl)Show More⌵

Mol. Formula:
C20H22N2O5

M.W.:
370.40

Type:
---

AlogP:
1.98

Polar Surface Area:
103.12

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5173446

Name:
5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methylpiperidin-4-yl)-2-(2-iodophenyl)Show More⌵

Mol. Formula:
C21H22INO5

M.W.:
495.31