Compounds

ALA5266198

Name:
(S)-4-methyl-5-((7-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline

Mol. Formula:
C16H21N3O2S

M.W.:
319.43

Type:
---

AlogP:
1.92

Polar Surface Area:
62.30

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5282471

Name:
4-(4-(3-((3-methoxyphenyl)amino)-2-oxopyrrolidin-1-yl)phenyl)phthalazin-1(2Show More⌵

Mol. Formula:
C25H22N4O3

M.W.:
426.48

Type:
---

AlogP:
3.82

Polar Surface Area:
87.32

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5281817

Name:
4-(4-(2-oxo-3-phenylpyrrolidin-1-yl)phenyl)phthalazin-1(2H)-one

Mol. Formula:
C24H19N3O2

M.W.:
381.44

Type:
---

AlogP:
4.11

Polar Surface Area:
66.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5278924

Name:
4-(1,2-dithiolan-3-yl)-1-(4-(isoquinolin-5-ylsulfonyl)-1,4-diazepan-1-yl)buShow More⌵

Mol. Formula:
C21H27N3O3S3

M.W.:
465.67

Type:
---

AlogP:
3.78

Polar Surface Area:
70.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5278266

Name:
4-(4-(2-oxo-3-(phenylamino)pyrrolidin-1-yl)phenyl)phthalazin-1(2H)-one

Mol. Formula:
C24H20N4O2

M.W.:
396.45

Type:
---

AlogP:
3.81

Polar Surface Area:
78.09

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5276476

Name:
4-(4-(2-oxo-1-phenylpyrrolidin-3-yl)phenyl)phthalazin-1(2H)-one

Mol. Formula:
C24H19N3O2

M.W.:
381.44

Type:
---

AlogP:
4.11

Polar Surface Area:
66.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5276108

Name:
4-(4-(3-((3-(methylsulfonyl)phenyl)amino)-2-oxopyrrolidin-1-yl)phenyl)phthaShow More⌵

Mol. Formula:
C25H22N4O4S

M.W.:
474.54

Type:
---

AlogP:
3.21

Polar Surface Area:
112.23

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5275907

Name:
4-(4-(2-oxo-3-phenylimidazolidin-1-yl)phenyl)phthalazin-1(2H)-one

Mol. Formula:
C23H18N4O2

M.W.:
382.42

Type:
---

AlogP:
4.04

Polar Surface Area:
69.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5275765

Name:
4-(4-(3-benzyl-2-oxoimidazolidin-1-yl)phenyl)phthalazin-1(2H)-one

Mol. Formula:
C24H20N4O2

M.W.:
396.45

Type:
---

AlogP:
4.03

Polar Surface Area:
69.30

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5274249

Name:
4-(4-(2-oxo-4-phenylpyrrolidin-1-yl)phenyl)phthalazin-1(2H)-one

Mol. Formula:
C24H19N3O2

M.W.:
381.44

Type:
---

AlogP:
4.11

Polar Surface Area:
66.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5273774

Name:
6-(4-(aminomethyl)-2-chlorophenoxy)-7-isopropylbenzo[c][1,2]oxaborol-1(3H)-Show More⌵

Mol. Formula:
C17H19BClNO3

M.W.:
331.61

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5273553

Name:
rac-4-(4-(3-((3-(difluoromethoxy)phenyl)amino)-2-oxopyrrolidin-1-yl)phenyl)Show More⌵

Mol. Formula:
C25H20F2N4O3

M.W.:
462.46

Type:
---

AlogP:
4.41

Polar Surface Area:
87.32

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5273305

Name:
4-(4-(3-((3-isopropoxyphenyl)amino)-2-oxopyrrolidin-1-yl)phenyl)phthalazin-Show More⌵

Mol. Formula:
C27H26N4O3

M.W.:
454.53

Type:
---

AlogP:
4.59

Polar Surface Area:
87.32

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5290589

Name:
6-(4-(aminomethyl)-2-fluorophenoxy)-7-methylbenzo[c][1,2]oxaborol-1(3H)-ol

Mol. Formula:
C15H15BFNO3

M.W.:
287.10

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5289629

Name:
4-(4-(4-benzyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phenyl)phthalazin-1(Show More⌵

Mol. Formula:
C23H17N5O2

M.W.:
395.42

Type:
---

AlogP:
2.99

Polar Surface Area:
85.57

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5289256

Name:
N-(4-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)indoline-1-carboxamide

Mol. Formula:
C23H18N4O2

M.W.:
382.42

Type:
---

AlogP:
4.18

Polar Surface Area:
78.09

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5287991

Name:
(2-methoxy-3-(3H-pyrazolo[4,3-f]quinolin-7-yl)phenyl)boronic acid

Mol. Formula:
C17H14BN3O3

M.W.:
319.13

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5287054

Name:
4-(4-(2-oxo-3-((3-(trifluoromethoxy)phenyl)amino)pyrrolidin-1-yl)phenyl)phtShow More⌵

Mol. Formula:
C25H19F3N4O3

M.W.:
480.45

Type:
---

AlogP:
4.71

Polar Surface Area:
87.32

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5286854

Name:
4-(4-(3-((2-methylbenzo[d]thiazol-6-yl)amino)-2-oxopyrrolidin-1-yl)phenyl)pShow More⌵

Mol. Formula:
C26H21N5O2S

M.W.:
467.55

Type:
---

AlogP:
4.73

Polar Surface Area:
90.98

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5285335

Name:
N4-(4-((1H-indazol-5-yl)oxy)-3-fluorophenyl)-6-((4aS,7aS)-octahydro-6H-pyrrShow More⌵

Mol. Formula:
C24H25FN8O

M.W.:
460.52

Type:
---

AlogP:
3.80

Polar Surface Area:
117.01

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS