Compounds

ALA5272524

Name:
(R)-N-(3-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)methyl)-4-oxo-3,4-dShow More⌵

Mol. Formula:
C31H39N5O5

M.W.:
561.68

Type:
---

AlogP:
2.60

Polar Surface Area:
117.00

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5272505

Name:
3-((4-hydroxy-1-(4'-(pyrrolidine-1-carbonyl)-[1,1'-biphenyl]-3-carbonyl)pipShow More⌵

Mol. Formula:
C30H31N5O4

M.W.:
525.61

Type:
---

AlogP:
3.07

Polar Surface Area:
100.15

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5272413

Name:
5-((3,5-dichloropyridin-4-yl)thio)-N-(3-((2-morpholinoethyl)amino)-1,1-dioxShow More⌵

Mol. Formula:
C22H22Cl2N6O4S3

M.W.:
601.56

Type:
---

AlogP:
3.39

Polar Surface Area:
126.41

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5272332

Name:
N-(4'-(4-hydroxy-4-((4-oxopyrrolo[2,1-f][1,2,4]triazin-3(4H)-yl)methyl)pipeShow More⌵

Mol. Formula:
C29H29N5O4

M.W.:
511.58

Type:
---

AlogP:
3.34

Polar Surface Area:
108.94

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5272070

Name:
5-((3,5-dichloropyridin-4-yl)thio)-N-(2-(methylsulfonyl)phenyl)-4-nitrothioShow More⌵

Mol. Formula:
C17H11Cl2N3O5S3

M.W.:
504.40

Type:
---

AlogP:
5.17

Polar Surface Area:
119.27

HBA:
8

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5271884

Name:
5-((3,5-dichloropyridin-4-yl)thio)-N-(3-(S-methylsulfonimidoyl)phenyl)-4-niShow More⌵

Mol. Formula:
C17H12Cl2N4O4S3

M.W.:
503.41

Type:
---

AlogP:
5.80

Polar Surface Area:
126.05

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5271687

Name:
(S)-4-(2-hydroxyethyl)-12b-methyl-2,3-dihydro-1H-tetrapheno[5,4-bc]furan-6,Show More⌵

Mol. Formula:
C22H18O5

M.W.:
362.38

Type:
---

AlogP:
2.94

Polar Surface Area:
84.58

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5271612

Name:
N-(3-((1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl)methyl)-4-oxo-3,4-dShow More⌵

Mol. Formula:
C26H31N5O5

M.W.:
493.56

Type:
---

AlogP:
1.89

Polar Surface Area:
118.17

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5271414

Name:
Methyl (2R,4aS,6aS,6bS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,6b,9,12b,14a-heptShow More⌵

Mol. Formula:
C31H44O4

M.W.:
480.69

Type:
---

AlogP:
7.26

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5271396

Name:
N-(3-(2-amino-4-ethyl-5-(4-hydroxyphenyl)pyridin-3-yl)phenyl)methanesulfonaShow More⌵

Mol. Formula:
C20H21N3O3S

M.W.:
383.47

Type:
---

AlogP:
3.64

Polar Surface Area:
105.31

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5271384

Name:
3-((4-hydroxy-1-(2-methyl-3-phenylpropanoyl)piperidin-4-yl)methyl)pyrrolo[2Show More⌵

Mol. Formula:
C22H26N4O3

M.W.:
394.48

Type:
---

AlogP:
1.73

Polar Surface Area:
79.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5271202

Name:
7-chloro-3-((1-(3-phenylpropanoyl)piperidin-4-yl)methyl)quinazolin-4(3H)-onShow More⌵

Mol. Formula:
C23H24ClN3O2

M.W.:
409.92

Type:
---

AlogP:
3.92

Polar Surface Area:
55.20

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5271129

Name:
5-((3,5-dichloropyridin-4-yl)thio)-N-(4-(3-(dimethylamino)-2-hydroxypropoxyShow More⌵

Mol. Formula:
C19H19Cl2N5O3S2

M.W.:
500.43

Type:
---

AlogP:
3.94

Polar Surface Area:
100.47

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5271097

Name:
3-((4-hydroxy-1-(2'-methyl-[1,1'-biphenyl]-3-carbonyl)piperidin-4-yl)methylShow More⌵

Mol. Formula:
C26H26N4O3

M.W.:
442.52

Type:
---

AlogP:
3.14

Polar Surface Area:
79.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5271000

Name:

Mol. Formula:
C40H32O15S2

M.W.:
816.82

Type:
---

AlogP:
5.27

Polar Surface Area:
233.40

HBA:
13

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5270544

Name:
(2S,3R,4R,4aR,6aS,8aR,12aS,13S,14aR,14bR)-13-(chloromethyl)-2,3-dihydroxy-4Show More⌵

Mol. Formula:
C30H45ClO6

M.W.:
537.14

Type:
---

AlogP:
5.49

Polar Surface Area:
115.06

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5270521

Name:
3-((1-(3'-chloro-[1,1'-biphenyl]-3-carbonyl)-4-hydroxypiperidin-4-yl)methylShow More⌵

Mol. Formula:
C25H23ClN4O3

M.W.:
462.94

Type:
---

AlogP:
3.48

Polar Surface Area:
79.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5270497

Name:
3-((1-(4'-chloro-[1,1'-biphenyl]-3-carbonyl)-4-hydroxypiperidin-4-yl)methylShow More⌵

Mol. Formula:
C25H23ClN4O3

M.W.:
462.94

Type:
---

AlogP:
3.48

Polar Surface Area:
79.84

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5270475

Name:
3'-(4-hydroxy-4-((4-oxopyrrolo[2,1-f][1,2,4]triazin-3(4H)-yl)methyl)piperidShow More⌵

Mol. Formula:
C26H25N5O4

M.W.:
471.52

Type:
---

AlogP:
1.93

Polar Surface Area:
122.93

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5270413

Name:
3-(2-methoxyethoxy)-9-oxo-9H-indeno[1,2-b]pyrazine-2-carbonitrile

Mol. Formula:
C15H11N3O3

M.W.:
281.27

Type:
---

AlogP:
1.58

Polar Surface Area:
85.10

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS