Compounds

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
216.99

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4288822

Name:
Benzyl (6S,9S,12S,13S)-1-amino-9-cyclohexyl-13-hydroxy-1-imino-12-isobutyl-Show More⌵

Mol. Formula:
C39H56F3N7O9

M.W.:
823.91

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
216.99

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4286156

Name:
Benzyl (6S,9S,12S,13S)-1-amino-9-cyclohexyl-13-hydroxy-1-imino-12-isobutyl-Show More⌵

Mol. Formula:
C40H58F3N7O8

M.W.:
821.94

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
207.76

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4278912

Name:
Benzyl (6S,9S,12S,13S)-1-amino-13-hydroxy-1-imino-12-isobutyl-7,10,15-trioxShow More⌵

Mol. Formula:
C40H52F3N7O8

M.W.:
815.89

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
207.76

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

WEHI-842

Name:
benzyl (6S,9S,12S,13S)-1-amino-13-hydroxy-1-imino-12-isobutyl-9-isopropyl-7Show More⌵

Mol. Formula:
C34H51N7O7

M.W.:
669.82

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
216.99

HBA:
8

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA3736282

Name:
benzyl(6S,9S,12S,13S)-1-amino-13-hydroxy-1-imino-12-isobutyl-9-isopropyl-8-Show More⌵

Mol. Formula:
C36H55N7O6

M.W.:
681.88

3 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
198.97

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3735021

Name:
benzyl(6S,9S,12S,13S)-1-amino-13-hydroxy-1-imino-12-isobutyl-9-isopropyl-7,Show More⌵

Mol. Formula:
C35H53N7O6

M.W.:
667.85

3 unique targets

Type:
Small molecule

AlogP:
2.33

Polar Surface Area:
207.76

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3736380

Name:
benzyl(6S,9S,12S,13S)-1-amino-18-(4-chlorophenyl)-13-hydroxy-1-imino-12-isoShow More⌵

Mol. Formula:
C34H50ClN7O6

M.W.:
688.27

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
198.97

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3735592

Name:
benzyl(6S,9S,12S,13S)-1-amino-18-(4-chlorophenyl)-13-hydroxy-1-imino-12-isoShow More⌵

Mol. Formula:
C34H50ClN7O6

M.W.:
688.27

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
198.97

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3736027

Name:
benzyl(6S,9S,12S,13S)-1-amino-18-(4-chlorophenyl)-13-hydroxy-1-imino-12-isoShow More⌵

Mol. Formula:
C34H50ClN7O6

M.W.:
688.27

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
198.97

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3545828

Name:
benzyl(6S,9S,12S,13S)-1-amino-18-(4-chlorophenyl)-13-hydroxy-1-imino-12-isoShow More⌵

Mol. Formula:
C33H48ClN7O6

M.W.:
674.24

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
207.76

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3344371

Name:
benzyl(6S,9S,12S,13S)-1-amino-13-hydroxy-1-imino-12-isobutyl-9,16-dimethyl-Show More⌵

Mol. Formula:
C34H51N7O6

M.W.:
653.83

Type:
Small molecule

AlogP:
2.03

Polar Surface Area:
198.97

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3344370

Name:
benzyl(S)-1-((S)-1-((3S,4S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxy-6-Show More⌵

Mol. Formula:
C34H49N7O6

M.W.:
651.81

Type:
Small molecule

AlogP:
1.61

Polar Surface Area:
207.76

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3344369

Name:
benzyl(6S,9S,12S,13S)-1-amino-13-hydroxy-1-imino-12-isobutyl-9,18-dimethyl-Show More⌵

Mol. Formula:
C29H49N7O6

M.W.:
591.75

Type:
Small molecule

AlogP:
1.10

Polar Surface Area:
207.76

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3344368

Name:
benzyl(S)-5-guanidino-1-((S)-1-((3S,4S)-3-hydroxy-6-methyl-1-oxo-1-(piperidShow More⌵

Mol. Formula:
C30H49N7O6

M.W.:
603.76

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
198.97

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA3344367

Name:
benzyl(S)-1-((S)-1-((3S,4S)-1-(cyclopentylamino)-3-hydroxy-6-methyl-1-oxoheShow More⌵

Mol. Formula:
C30H49N7O6

M.W.:
603.77

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
207.76

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3344366

Name:
benzyl(6S,9S,12S,13S)-1-amino-13-hydroxy-1-imino-12-isobutyl-9-methyl-7,10,Show More⌵

Mol. Formula:
C33H49N7O6

M.W.:
639.80

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
207.76

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3344365

Name:
benzyl(6S,9S,12S,13S)-1-amino-13-hydroxy-1-imino-12-isobutyl-9,16-dimethyl-Show More⌵

Mol. Formula:
C34H51N7O6

M.W.:
653.83

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
198.97

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3344364

Name:
benzyl(6S,9S,12S,13S)-1-amino-18-(4-chlorophenyl)-13-hydroxy-1-imino-12-isoShow More⌵

Mol. Formula:
C34H50ClN7O6

M.W.:
688.27

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
198.97

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3344363

Name:
benzyl(6S,9S,12S,13S)-1-amino-13-hydroxy-1-imino-12-isobutyl-9,17-dimethyl-Show More⌵

Mol. Formula:
C28H47N7O6

M.W.:
577.73