Compounds

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
118.96

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5093667

Name:
4-(Cyclohexylamino)-2-((2-ethoxy-4-(2-oxopyrrolidin-1-yl)-phenyl)amino)-7H-Show More⌵

Mol. Formula:
C25H29N7O2

M.W.:
459.55

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
118.96

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5093015

Name:
N-(2,6-diethylphenyl)-1-[2-[4-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]Show More⌵

Mol. Formula:
C39H49N9O3

M.W.:
691.88

Type:
Unknown

AlogP:
5.46

Polar Surface Area:
126.81

HBA:
10

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5092826

Name:
N-(2,6-diethylphenyl)-1-[2-[4-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1Show More⌵

Mol. Formula:
C36H43N9O3

M.W.:
649.80

Type:
Unknown

AlogP:
5.09

Polar Surface Area:
123.65

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5092617

Name:
4-(Cyclohexylamino)-2-((2-methoxy-4-(morpholine-4-carbonyl)-phenyl)amino)-7Show More⌵

Mol. Formula:
C25H29N7O3

M.W.:
475.55

9 activity values

3 unique targets

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
128.19

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5092279

Name:
1-(4-((4-(Cyclohexylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-amino)-3-methoxShow More⌵

Mol. Formula:
C23H28N6O2

M.W.:
420.52

Type:
Unknown

AlogP:
4.58

Polar Surface Area:
95.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5092259

Name:
2-((2-Methoxy-4-(2-oxopyrrolidin-1-yl)phenyl)amino)-4-(methylamino)-7H-pyrrShow More⌵

Mol. Formula:
C19H19N7O2

M.W.:
377.41

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
118.96

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5091689

Name:
N-(2,6-diethylphenyl)-5-[2-[4-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-1Show More⌵

Mol. Formula:
C36H44N10O3

M.W.:
664.81

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
136.54

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5091258

Name:
4-(Cyclohexylamino)-2-((2-methoxy-4-(3-oxomorpholino)-phenyl)amino)-7H-pyrrShow More⌵

Mol. Formula:
C24H27N7O3

M.W.:
461.53

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
128.19

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5090350

Name:
4-(Cyclobutylamino)-2-((2-methoxy-4-(2-oxopyrrolidin-1-yl)-phenyl)amino)-7HShow More⌵

Mol. Formula:
C22H23N7O2

M.W.:
417.47

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
118.96

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5089560

Name:
4-((Cyclobutylmethyl)amino)-2-((2-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl)amShow More⌵

Mol. Formula:
C23H25N7O2

M.W.:
431.50

Type:
Unknown

AlogP:
3.92

Polar Surface Area:
118.96

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5088755

Name:
2-((2-Methoxy-4-(2-oxopyrrolidin-1-yl)phenyl)amino)-4-((tetrahydro-2H-pyranShow More⌵

Mol. Formula:
C23H25N7O3

M.W.:
447.50

Type:
Unknown

AlogP:
3.30

Polar Surface Area:
128.19

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5087340

Name:
2-[4-[4-[[4-[2-(2,6-diethylphenyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-7Show More⌵

Mol. Formula:
C38H45N9O3

M.W.:
675.84

Type:
Unknown

AlogP:
5.17

Polar Surface Area:
114.86

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5086435

Name:
N-(2,6-diethylphenyl)-5-[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)-1-piperShow More⌵

Mol. Formula:
C38H48N10O2

M.W.:
676.87

Type:
Unknown

AlogP:
5.70

Polar Surface Area:
119.47

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5086022

Name:
2-(2,6-diethylphenyl)-7-[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)-1-piperShow More⌵

Mol. Formula:
C40H49N9O2

M.W.:
687.89

Type:
Unknown

AlogP:
6.18

Polar Surface Area:
97.79

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5085780

Name:
N4-Cyclohexyl-N2-(2-methyl-4-morpholinophenyl)-5-(trifluoromethyl)-7H-pyrroShow More⌵

Mol. Formula:
C24H29F3N6O

M.W.:
474.53

Type:
Unknown

AlogP:
5.61

Polar Surface Area:
78.10

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5085753

Name:
2-(2,6-diethylphenyl)-7-[2-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]hepShow More⌵

Mol. Formula:
C42H49N9O3

M.W.:
727.91

53 activity values

20 unique targets

Type:
Unknown

AlogP:
5.95

Polar Surface Area:
114.86

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5085278

Name:
N-(2,6-diethylphenyl)-5-[2-[2-methoxy-4-[4-(4-methylpiperazine-1-carbonyl)-Show More⌵

Mol. Formula:
C39H48N10O3

M.W.:
704.88

Type:
Unknown

AlogP:
5.48

Polar Surface Area:
136.54

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5085201

Name:
4-(Isopropylamino)-2-((2-methoxy-4-(2-oxopyrrolidin-1-yl)-phenyl)amino)-7H-Show More⌵

Mol. Formula:
C21H23N7O2

M.W.:
405.46

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
118.96

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5085182

Name:
2-(2,6-diethylphenyl)-7-[2-[2-methoxy-4-[4-(4-methylpiperazine-1-carbonyl)-Show More⌵

Mol. Formula:
C41H49N9O3

M.W.:
715.90