Compounds

ALA5266555

Name:
3-(((3S,4S)-3-(3,5-difluorophenyl)-4-((4-(2-methyl-5,6-dihydro-4H-pyrrolo[1Show More⌵

Mol. Formula:
C31H40F2N4O2

M.W.:
538.68

Type:
---

AlogP:
4.81

Polar Surface Area:
61.60

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5265901

Name:
1-(((3S,4S)-3-((4-(3,3-difluoro-3-(pyridin-3-yl)propyl)piperidin-1-yl)methyShow More⌵

Mol. Formula:
C31H40F3N3O2

M.W.:
543.67

Type:
---

AlogP:
6.17

Polar Surface Area:
56.67

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5281093

Name:
1-(((3S,4S)-3-((4-(1,3-diethyl-5-methyl-1H-pyrazol-4-yl)piperidin-1-yl)methShow More⌵

Mol. Formula:
C30H43FN4O2

M.W.:
510.70

Type:
---

AlogP:
5.06

Polar Surface Area:
61.60

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5280882

Name:
1-(((3S,4S)-3-(3-fluorophenyl)-4-((4-(2-((4-fluorophenyl)sulfonyl)ethyl)pipShow More⌵

Mol. Formula:
C31H40F2N2O4S

M.W.:
574.73

Type:
---

AlogP:
5.20

Polar Surface Area:
77.92

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5279229

Name:
3-(((3S,4S)-3-((4-(1-(cyclopropylmethyl)-3-ethyl-5-methyl-1H-pyrazol-4-yl)pShow More⌵

Mol. Formula:
C34H47FN4O2

M.W.:
562.77

Type:
---

AlogP:
5.70

Polar Surface Area:
61.60

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5278843

Name:
1-(((3S,4R)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-Show More⌵

Mol. Formula:
C33H46N6O2

M.W.:
558.77

Type:
---

AlogP:
4.77

Polar Surface Area:
79.42

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5278560

Name:
1-(((3S,4S)-3-((4-(3,3-difluoro-3-(4-fluorophenyl)propyl)piperidin-1-yl)metShow More⌵

Mol. Formula:
C32H40F4N2O2

M.W.:
560.68

Type:
---

AlogP:
6.91

Polar Surface Area:
43.78

HBA:
3

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5276302

Name:
2-amino-6-borono-2-[1-[(2,4-dichlorophenyl)methyl]-4-piperidyl]hexanoicacid

Mol. Formula:
C18H27BCl2N2O4

M.W.:
417.14

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5275544

Name:
(2R)-2-amino-6-borono-2-[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]hexanoiShow More⌵

Mol. Formula:
C18H27BCl2N2O4

M.W.:
417.14

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5289982

Name:
(3R,4S)-3-amino-4-[3-(dihydroxyboranyl)propyl]-1-[(2S)-3-hydroxy-2-(methylaShow More⌵

Mol. Formula:
C12H24BN3O6

M.W.:
317.15

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5289153

Name:
(1R,4S)-1-amino-4-[(2S)-2-aminopropanoyl]-2-(3-boronopropyl)cyclopentanecarShow More⌵

Mol. Formula:
C12H23BN2O5

M.W.:
286.14

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5286674

Name:
(1S,3S,4S,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroShow More⌵

Mol. Formula:
C16H18O9

M.W.:
354.31

Type:
---

AlogP:
-0.65

Polar Surface Area:
164.75

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5284872

Name:
1-(((3S,4S)-3-(3,5-difluorophenyl)-4-((4-(2-methyl-5,6-dihydro-4H-pyrrolo[1Show More⌵

Mol. Formula:
C30H40F2N4O2

M.W.:
526.67

Type:
---

AlogP:
4.96

Polar Surface Area:
61.60

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5284426

Name:
1-(1-(((3S,4S)-3-((4-(1,3-diethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyl)-4-Show More⌵

Mol. Formula:
C31H45FN4O

M.W.:
508.73

Type:
---

AlogP:
6.13

Polar Surface Area:
44.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5270828

Name:
1-(1-(((3S,4S)-3-((4-(3-cyclobutyl-1-ethyl-4-methyl-1H-pyrazol-5-yl)piperidShow More⌵

Mol. Formula:
C34H49FN4O

M.W.:
548.79

Type:
---

AlogP:
7.15

Polar Surface Area:
44.53

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5269808

Name:
3-(((3S,4S)-3-((4-(1,3-diethyl-4-methyl-1H-pyrazol-5-yl)piperidin-1-yl)methShow More⌵

Mol. Formula:
C32H45FN4O2

M.W.:
536.74

Type:
---

AlogP:
5.31

Polar Surface Area:
61.60

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5269767

Name:
1-(1-(((3S,4S)-3-((4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)methyShow More⌵

Mol. Formula:
C34H48N6O

M.W.:
556.80

Type:
---

AlogP:
5.75

Polar Surface Area:
62.35

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5272577

Name:
1-(((3S,4S)-3-((4-(1-(cyclopropylmethyl)-5-ethyl-3-methyl-1H-pyrazol-4-yl)pShow More⌵

Mol. Formula:
C33H47FN4O2

M.W.:
550.76

Type:
---

AlogP:
5.84

Polar Surface Area:
61.60

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5271123

Name:
1-(((3S,4S)-3-(3-fluorophenyl)-4-((4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperiShow More⌵

Mol. Formula:
C32H47FN4O2

M.W.:
538.75

Type:
---

AlogP:
5.71

Polar Surface Area:
61.60

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5197405

Name:
(1R,2S,5R)-1-amino-2-(((S)-2-aminopropanamido)methyl)-5-(2-boronoethyl)cyclShow More⌵

Mol. Formula:
C13H26BN3O5

M.W.:
315.18

2 activity values

2 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS