Compounds

Type:
Unknown

AlogP:
2.51

Polar Surface Area:
151.43

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4649523

Name:
3,5-Dibromo-Nalpha-[[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-ylShow More⌵

Mol. Formula:
C40H49Br2N9O5

M.W.:
895.70

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
162.48

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4649325

Name:
N-((2-cyclobutyl-6-methylpyridin-4-yl)methyl)-5-((R)-1-((R)-3-methyl-2-oxo-Show More⌵

Mol. Formula:
C27H29N5O2

M.W.:
455.56

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
96.87

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4647045

Name:
4-(1-(5-((2,6-dimethylpyridin-4-yl)(methyl)amino)-2'-(2-methoxypropan-2-yl)Show More⌵

Mol. Formula:
C36H43N7O2

M.W.:
605.79

Type:
Unknown

AlogP:
6.23

Polar Surface Area:
86.72

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4645875

Name:
N-((R)-1-((S)-6-amino-1-oxo-1-(4-(pyridin-4-yl)piperazin-1-yl)hexan-2-ylamiShow More⌵

Mol. Formula:
C37H47Br2N7O5

M.W.:
829.63

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
153.36

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4644508

Name:
(S)-2-(4-amino-3-chloro-5-(trifluoromethyl)benzyl)-1-(4-(4-methylpiperazin-Show More⌵

Mol. Formula:
C36H47ClF3N7O3

M.W.:
718.27

2 unique targets

Type:
Unknown

AlogP:
4.81

Polar Surface Area:
105.46

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4643140

Name:
N-((2S,5R,7aR)-5-(2-cyanopropan-2-yl)-7a-(4-fluoro-2-methylphenyl)-3-oxohexShow More⌵

Mol. Formula:
C31H31F2N5O4

M.W.:
575.62

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
128.18

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4643006

Name:
N-((3S,4R)-3-fluoro-1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)-3-(4-(6-isoShow More⌵

Mol. Formula:
C36H44FN5O4

M.W.:
629.78

Type:
Unknown

AlogP:
5.75

Polar Surface Area:
96.89

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4642755

Name:
N-[(2R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-([(2S)-1-oxo-3-(piperidin-4-ylShow More⌵

Mol. Formula:
C43H52N10O4

M.W.:
772.96

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
171.45

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4641806

Name:
N-((R)-1-((S)-6-amino-1-oxo-1-(4-(pyridin-4-yl)piperazin-1-yl)hexan-2-ylamiShow More⌵

Mol. Formula:
C37H47Br2N9O5

M.W.:
857.65

Type:
Unknown

AlogP:
3.95

Polar Surface Area:
190.46

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4640176

Name:
(S)-3-((R)-1-(4-(2-(2,6-dimethylpyridin-4-yloxy)ethyl)phenyl)ethyl)-3-methyShow More⌵

Mol. Formula:
C22H26N2O3

M.W.:
366.46

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
68.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4639133

Name:
N-((R)-1-((S)-6-amino-1-oxo-1-(4-(pyridin-4-yl)piperazin-1-yl)hexan-2-ylamiShow More⌵

Mol. Formula:
C37H45Br2N9O5

M.W.:
855.63

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
181.92

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4638938

Name:
N-((R)-1-(((S)-6-Amino-1-oxo-1-(4-(pyridin-4-yl)piperazin-1-yl)hexan-2-yl)aShow More⌵

Mol. Formula:
C38H48N12O4

M.W.:
736.88

4 activity values

2 unique targets

Type:
Unknown

AlogP:
2.22

Polar Surface Area:
203.26

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4638635

Name:
N-(2-((2S,5R)-2-(2-cyanopropan-2-yl)-5-m-tolylpyrrolidin-1-yl)-2-oxoethyl)-Show More⌵

Mol. Formula:
C31H35N5O3

M.W.:
525.65

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
118.95

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4638112

Name:
N-[(2R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-([(2S)-1-oxo-3-(piperidin-4-ylShow More⌵

Mol. Formula:
C40H50N12O4

M.W.:
762.92

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
189.27

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4637301

Name:
2-((2S,6R)-2-(3-chlorophenyl)-6-fluoro-4-oxo-1,8-dioxa-3-azaspiro[4.5]decanShow More⌵

Mol. Formula:
C29H25ClFN5O5

M.W.:
578.00

Type:
Unknown

AlogP:
3.11

Polar Surface Area:
122.75

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4636143

Name:
N-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(pyridin-4-yl)-1-Show More⌵

Mol. Formula:
C40H44N12O4

M.W.:
756.87

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
190.13

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4635521

Name:
3,5-Dibromo-Nalpha-[[4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]-pyridin-1-yl)piShow More⌵

Mol. Formula:
C38H46Br2N10O5

M.W.:
882.66

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
180.82

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4634646

Name:
1-(2,5-dioxo-3',4'-dihydro-1'H-spiro[imidazolidine-4,2'-naphthalene]-7'-yl)Show More⌵

Mol. Formula:
C29H26N6O4

M.W.:
522.57

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
132.00

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4634626

Name:
(R)-N-((S)-6-amino-1-oxo-1-(4-(pyridin-4-yl)piperazin-1-yl)hexan-2-yl)-3-(3Show More⌵

Mol. Formula:
C34H43Br2N7O5

M.W.:
789.57