Compounds

Type:
Unknown

AlogP:
4.76

Polar Surface Area:
54.48

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4476818

Name:
(S)-2-amino-N-((R)-1-(cyclopropanecarbonyl)-6-(qui
Show More⌵

Mol. Formula:
C36H37F3N4O5

M.W.:
662.71

Type:
Unknown

AlogP:
5.02

Polar Surface Area:
108.55

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4475106

Name:
(S)-1-((5-Benzyl-2-hydroxybenzyl)amino)-3-(4-hydro
Show More⌵

Mol. Formula:
C27H29F3N2O5

M.W.:
518.53

5 unique targets

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
95.58

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4474277

Name:
N-Cyclopropylmethyl-7alpha-4'-(2''-(ethoxycarbonyl
Show More⌵

Mol. Formula:
C35H44N2O5

M.W.:
572.75

Type:
Unknown

AlogP:
5.45

Polar Surface Area:
69.26

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4538540

Name:
(S)-1-(((R)-1-(3-Benzylphenyl)ethyl)amino)-3-(4-hy
Show More⌵

Mol. Formula:
C28H31F3N2O4

M.W.:
516.56

5 unique targets

Type:
Unknown

AlogP:
4.35

Polar Surface Area:
75.35

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4522335

Name:
N-Cyclopropylmethyl-7alpha-4'-(N'-phenylacetyl)ami
Show More⌵

Mol. Formula:
C38H42N2O4

M.W.:
590.76

11 activity values

Type:
Unknown

AlogP:
6.27

Polar Surface Area:
60.03

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4521319

Name:
(S)-2-amino-N-((R)-6-benzyl-1-(methylsulfonyl)-1,2
Show More⌵

Mol. Formula:
C30H34F3N3O6S

M.W.:
621.68

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
112.73

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4559381

Name:
N-Cyclopropylmethyl-7alpha-4'-(N''-p-tosyl)piperaz
Show More⌵

Mol. Formula:
C41H49N3O5S

M.W.:
695.93

Type:
Unknown

AlogP:
5.91

Polar Surface Area:
71.55

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4553931

Name:
(S)-2-amino-N-((R)-1-(cyclopropanecarbonyl)-6-((3,
Show More⌵

Mol. Formula:
C36H41F3N4O5

M.W.:
666.74

Type:
Unknown

AlogP:
4.44

Polar Surface Area:
98.90

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4570786

Name:
N-Cyclopropylmethyl-7alpha-4'-cyclopropylmethylami
Show More⌵

Mol. Formula:
C34H42N2O3

M.W.:
526.72

Type:
Unknown

AlogP:
5.91

Polar Surface Area:
42.96

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4569796

Name:
(S)-1-((5-Benzyl-2-methylbenzyl)amino)-3-(4-hydrox
Show More⌵

Mol. Formula:
C28H31F3N2O4

M.W.:
516.56

5 unique targets

Type:
Unknown

AlogP:
4.09

Polar Surface Area:
75.35

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4569709

Name:
(S)-2-amino-N-((R)-1-benzoyl-6-(quinolin-3-ylmethy
Show More⌵

Mol. Formula:
C39H37F3N4O5

M.W.:
698.74

15 activity values

Type:
Unknown

AlogP:
5.93

Polar Surface Area:
108.55

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4530660

Name:
N-Cyclopropylmethyl-7alpha-4'-(N'',N''-dimethylami
Show More⌵

Mol. Formula:
C35H47N3O3

M.W.:
557.78

Type:
Unknown

AlogP:
5.45

Polar Surface Area:
46.20

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4530627

Name:
N-Cyclopropylmethyl-7alpha-4'-piperazinylphenyl-6,
Show More⌵

Mol. Formula:
C34H43N3O3

M.W.:
541.74

Type:
Unknown

AlogP:
4.50

Polar Surface Area:
46.20

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4529363

Name:
(S)-2-amino-N-((R)-6-(benzofuran-2-ylmethyl)-1,2,3
Show More⌵

Mol. Formula:
C31H32F3N3O5

M.W.:
583.61

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
100.52

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4516240

Name:
(S)-2-amino-N-((R)-1-benzoyl-6-(naphthalen-2-ylmet
Show More⌵

Mol. Formula:
C40H38F3N3O5

M.W.:
697.75

15 activity values

Type:
Unknown

AlogP:
6.53

Polar Surface Area:
95.66

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4550332

Name:
(S)-N-((R)-1-acetyl-6-(quinolin-3-ylmethyl)-1,2,3,
Show More⌵

Mol. Formula:
C34H35F3N4O5

M.W.:
636.67

Type:
Unknown

AlogP:
4.63

Polar Surface Area:
108.55

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4549639

Name:
(S)-2-amino-N-((R)-1-benzoyl-6-((3,4-dihydroisoqui
Show More⌵

Mol. Formula:
C39H41F3N4O5

M.W.:
702.77

Type:
Unknown

AlogP:
5.35

Polar Surface Area:
98.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4548498

Name:
(S)-2-amino-N-((R)-6-((3,4-dihydroisoquinolin-2(1H
Show More⌵

Mol. Formula:
C33H39F3N4O6S

M.W.:
676.76

15 activity values

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
115.97

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4546243

Name:
N-Cyclopropylmethyl-7alpha-4'-(N'-formyl)aminophen
Show More⌵

Mol. Formula:
C31H36N2O4

M.W.:
500.64