Compounds

ALA5271528

Name:
4-((3-(4-(3-((4-(4-acryloylpiperazin-1-yl)-7-chloro-5-fluoro-6-(3-hydroxynaShow More⌵

Mol. Formula:
C48H50ClFN10O6

M.W.:
917.44

Type:
---

AlogP:
5.11

Polar Surface Area:
183.65

HBA:
13

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA5270541

Name:
N-(1-(4-oxo-1,4-dihydroquinoline-2-carbonyl)piperidin-4-yl)acrylamide

Mol. Formula:
C18H19N3O3

M.W.:
325.37

Type:
---

AlogP:
1.43

Polar Surface Area:
82.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5270422

Name:
(R)-1-(1-acryloylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea

Mol. Formula:
C14H15Cl2N3O2

M.W.:
328.20

Type:
---

AlogP:
2.90

Polar Surface Area:
61.44

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5269458

Name:
(R)-N-(1-acryloylpyrrolidin-3-yl)-6-chloro-7-iodo-4-oxo-1,4-dihydroquinolinShow More⌵

Mol. Formula:
C17H15ClIN3O3

M.W.:
471.68

Type:
---

AlogP:
2.30

Polar Surface Area:
82.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5269166

Name:
1-(1-Acryloylpiperidin-4-yl)-3-(4-chlorophenyl)urea

Mol. Formula:
C15H18ClN3O2

M.W.:
307.78

Type:
---

AlogP:
2.64

Polar Surface Area:
61.44

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5282454

Name:
1-(1-(2-Chloroacetyl)piperidin-4-yl)-3-(3,4-dichlorophenyl)urea

Mol. Formula:
C14H16Cl3N3O2

M.W.:
364.66

Type:
---

AlogP:
3.34

Polar Surface Area:
61.44

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5281410

Name:
N-(1-(6-chloro-7-iodo-4-oxo-1,4-dihydroquinoline-2-carbonyl)piperidin-4-yl)Show More⌵

Mol. Formula:
C18H17ClIN3O3

M.W.:
485.71

Type:
---

AlogP:
2.69

Polar Surface Area:
82.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5279902

Name:
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(1-(vinylsulfonyl)piperidin-4-yl)uShow More⌵

Mol. Formula:
C15H17ClF3N3O3S

M.W.:
411.83

Type:
---

AlogP:
3.42

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5278777

Name:
1-(4-Chlorophenyl)-3-(1-(vinylsulfonyl)piperidin-4-yl)urea

Mol. Formula:
C14H18ClN3O3S

M.W.:
343.84

Type:
---

AlogP:
2.40

Polar Surface Area:
78.51

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5278066

Name:
6-chloro-N-(1-(2-chloroacetyl)pyrrolidin-3-yl)-7-iodo-4-oxo-1,4-dihydroquinShow More⌵

Mol. Formula:
C16H14Cl2IN3O3

M.W.:
494.12

Type:
---

AlogP:
2.36

Polar Surface Area:
82.27

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5277989

Name:
N-(6-chloro-2'-fluoro-[1,1'-biphenyl]-3-yl)-4-(2-chloroacetyl)piperazine-1-Show More⌵

Mol. Formula:
C19H18Cl2FN3O2

M.W.:
410.28

Type:
---

AlogP:
4.06

Polar Surface Area:
52.65

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5276747

Name:
(R)-1-(1-acryloylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea

Mol. Formula:
C14H16ClN3O2

M.W.:
293.75

Type:
---

AlogP:
2.25

Polar Surface Area:
61.44

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5276701

Name:
1-(6-Chloro-2'-fluoro[1,1'-biphenyl]-3-yl)-3-(1-(2-chloroacetyl)piperidin-4Show More⌵

Mol. Formula:
C20H20Cl2FN3O2

M.W.:
424.30

Type:
---

AlogP:
4.50

Polar Surface Area:
61.44

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5275796

Name:
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(1-(2-chloroacetyl)piperidin-4-yl)Show More⌵

Mol. Formula:
C15H16Cl2F3N3O2

M.W.:
398.21

Type:
---

AlogP:
3.71

Polar Surface Area:
61.44

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5275214

Name:
2-Chloro-N-(1-(6-chloro-7-iodo-4-oxo-1,4-dihydroquinoline-2-carbonyl)piperiShow More⌵

Mol. Formula:
C17H16Cl2IN3O3

M.W.:
508.14

Type:
---

AlogP:
2.75

Polar Surface Area:
82.27

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5273784

Name:
N-(1-(6-chloro-7-iodo-4-oxo-1,4-dihydroquinoline-2-carbonyl)piperidin-4-yl)Show More⌵

Mol. Formula:
C17H17ClIN3O4S

M.W.:
521.76

Type:
---

AlogP:
2.45

Polar Surface Area:
99.34

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5273625

Name:
(R)-1-(1-acryloylpyrrolidin-3-yl)-3-(4-chloro-3-(trifluoromethyl)phenyl)ureShow More⌵

Mol. Formula:
C15H15ClF3N3O2

M.W.:
361.75

Type:
---

AlogP:
3.27

Polar Surface Area:
61.44

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5273463

Name:
(S)-1-(1-acryloylpyrrolidin-3-yl)-3-(4-chloro-3-(trifluoromethyl)phenyl)ureShow More⌵

Mol. Formula:
C15H15ClF3N3O2

M.W.:
361.75

Type:
---

AlogP:
3.27

Polar Surface Area:
61.44

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5285198

Name:
(S)-1-(1-acryloylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea

Mol. Formula:
C14H16ClN3O2

M.W.:
293.75

Type:
---

AlogP:
2.25

Polar Surface Area:
61.44

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5284090

Name:
(R)-1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(1-(2-chloroacetyl)pyrrolidin-Show More⌵

Mol. Formula:
C14H14Cl2F3N3O2

M.W.:
384.19

Type:
---

AlogP:
3.32

Polar Surface Area:
61.44

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS