Compounds

Type:
---

AlogP:
3.82

Polar Surface Area:
157.08

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5195279

Name:
3-((R)-1-(2-(7-((1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl)-5Show More⌵

Mol. Formula:
C37H43N9O3

M.W.:
661.81

Type:
---

AlogP:
5.08

Polar Surface Area:
135.91

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5194669

Name:
((1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptan-7-yl)(2-(1-(cyclopropylmethylShow More⌵

Mol. Formula:
C31H38N8O4S

M.W.:
618.76

Type:
---

AlogP:
2.52

Polar Surface Area:
140.09

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5188806

Name:
N1-((R)-1-(2-(7-((1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl)-Show More⌵

Mol. Formula:
C39H44N8O6S

M.W.:
752.90

Type:
---

AlogP:
4.24

Polar Surface Area:
183.02

HBA:
11

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5187676

Name:
(S)-N-((R)-1-(2-(7-((1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyShow More⌵

Mol. Formula:
C35H44N8O4

M.W.:
640.79

Type:
---

AlogP:
4.27

Polar Surface Area:
132.25

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5180282

Name:
3-((R)-1-(2-(7-((1R,2R,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carbonyl)-5Show More⌵

Mol. Formula:
C32H37N7O4

M.W.:
583.69

Type:
---

AlogP:
4.30

Polar Surface Area:
120.22

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5093574

Name:

Mol. Formula:
C39H43FN8O2

M.W.:
674.82

Type:
Unknown

AlogP:
6.40

Polar Surface Area:
123.96

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5087104

Name:

Mol. Formula:
C39H41FN8O2S

M.W.:
704.88

Type:
Unknown

AlogP:
7.31

Polar Surface Area:
123.96

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5083901

Name:

Mol. Formula:
C35H41F2N7O3

M.W.:
645.75

Type:
Unknown

AlogP:
5.18

Polar Surface Area:
120.30

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5080973

Name:

Mol. Formula:
C35H40ClF2N7O2

M.W.:
664.20

Type:
Unknown

AlogP:
6.63

Polar Surface Area:
111.07

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5070220

Name:

Mol. Formula:
C35H39F4N7O2

M.W.:
665.74

Type:
Unknown

AlogP:
6.20

Polar Surface Area:
111.07

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5070080

Name:

Mol. Formula:
C38H43N7O3

M.W.:
647.82

Type:
Unknown

AlogP:
5.77

Polar Surface Area:
120.30

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4546087

Name:
N-(biphenyl-3-ylmethyl)-4-(2-chloroacetimidamido)but-2-ynamide

Mol. Formula:
C19H18ClN3O

M.W.:
339.83

4 activity values

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
64.98

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

GSK484

Name:
((3S,4R)-3-amino-4-hydroxypiperidin-1-yl)(2-(1-(cyclopropylmethyl)-1H-indolShow More⌵

Mol. Formula:
C27H31N5O3

M.W.:
473.58

7 activity values

Type:
Unknown

AlogP:
3.15

Polar Surface Area:
98.54

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4473416

Name:
(E)-N-(biphenyl-3-ylmethyl)-4-(2-chloroacetimidamido)but-2-enamide

Mol. Formula:
C19H20ClN3O

M.W.:
341.84

5 activity values

Type:
Unknown

AlogP:
3.33

Polar Surface Area:
64.98

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4464539

Name:
N-(biphenyl-3-ylmethyl)-4-(2-chloroacetimidamido)butanamide

Mol. Formula:
C19H22ClN3O

M.W.:
343.86

6 activity values

Type:
Unknown

AlogP:
3.56

Polar Surface Area:
64.98

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4461562

Name:
N-(2-(3-(biphenyl-3-ylmethyl)ureido)ethyl)-2-chloroacetimidamide

Mol. Formula:
C18H21ClN4O

M.W.:
344.85

4 activity values

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
77.01

HBA:
2

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4442207

Name:
2-(2-chloroacetimidamido)ethyl biphenyl-3-ylmethylcarbamate

Mol. Formula:
C18H20ClN3O2

M.W.:
345.83

4 activity values

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
74.21

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4294641

Name:
2-chloro-N-(3-(1-ethyl-1H-indol-3-yl)propyl)acetimidamide

Mol. Formula:
C15H20ClN3

M.W.:
277.80

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
40.81

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4291238

Name:
2-chloro-N-(3-(1-(cyclopentylmethyl)-1H-indol-3-yl)propyl)acetimidamide

Mol. Formula:
C19H26ClN3

M.W.:
331.89