Compounds

Type:
Unknown

AlogP:
6.20

Polar Surface Area:
90.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4569382

Name:
N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-phenylbutanShow More⌵

Mol. Formula:
C36H48N4O5

M.W.:
616.80

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
123.16

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4561558

Name:
N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-phenylbutanShow More⌵

Mol. Formula:
C35H46N4O4

M.W.:
586.78

Type:
Unknown

AlogP:
4.61

Polar Surface Area:
94.14

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4555241

Name:
N1-(cyclopropylmethyl)-N3-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2Show More⌵

Mol. Formula:
C37H48N4O4

M.W.:
612.82

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
102.93

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4546797

Name:
N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-phenylbutanShow More⌵

Mol. Formula:
C36H48N4O5

M.W.:
616.80

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
112.16

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4545195

Name:
5-chloro-N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-phShow More⌵

Mol. Formula:
C34H44ClN3O4

M.W.:
594.20

Type:
Unknown

AlogP:
5.84

Polar Surface Area:
90.90

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4542566

Name:
N1-(2-(dimethylamino)ethyl)-N3-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)proShow More⌵

Mol. Formula:
C37H51N5O4

M.W.:
629.85

Type:
Unknown

AlogP:
4.20

Polar Surface Area:
106.17

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4536592

Name:
N1-(cyclohexylmethyl)-N3-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-Show More⌵

Mol. Formula:
C40H54N4O4

M.W.:
654.90

Type:
Unknown

AlogP:
6.22

Polar Surface Area:
102.93

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4533511

Name:
N1-(2-hydroxy-2-methylpropyl)-N3-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)pShow More⌵

Mol. Formula:
C37H50N4O5

M.W.:
630.83

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
123.16

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4522288

Name:
5-cyano-N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-pheShow More⌵

Mol. Formula:
C35H44N4O4

M.W.:
584.76

Type:
Unknown

AlogP:
5.06

Polar Surface Area:
114.69

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4520253

Name:
N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-phenylbutanShow More⌵

Mol. Formula:
C31H36F3N3O4

M.W.:
571.64

Type:
Unknown

AlogP:
4.60

Polar Surface Area:
99.69

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4516259

Name:
N1-(2-tert-butoxyethyl)-N3-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-Show More⌵

Mol. Formula:
C39H54N4O5

M.W.:
658.88

Type:
Unknown

AlogP:
5.46

Polar Surface Area:
112.16

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4515257

Name:
N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-phenylbutanShow More⌵

Mol. Formula:
C38H52N4O5

M.W.:
644.86

Type:
Unknown

AlogP:
5.07

Polar Surface Area:
112.16

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4515147

Name:
N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-phenylbutanShow More⌵

Mol. Formula:
C38H52N4O4

M.W.:
628.86

Type:
Unknown

AlogP:
5.69

Polar Surface Area:
102.93

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4475791

Name:
N1,N1-diethyl-N3-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)Show More⌵

Mol. Formula:
C37H50N4O4

M.W.:
614.83

7 activity values

7 unique targets

Type:
Unknown

AlogP:
5.39

Polar Surface Area:
94.14

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4470195

Name:
N1-benzyl-N3-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-pShow More⌵

Mol. Formula:
C40H48N4O4

M.W.:
648.85

Type:
Unknown

AlogP:
5.84

Polar Surface Area:
102.93

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4464784

Name:
N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-phenylbutanShow More⌵

Mol. Formula:
C33H43N3O4

M.W.:
545.72

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
99.69

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4454828

Name:
N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-phenylbutanShow More⌵

Mol. Formula:
C41H58N4O4

M.W.:
670.94

Type:
Unknown

AlogP:
6.67

Polar Surface Area:
94.14

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA4454293

Name:
N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-phenylbutanShow More⌵

Mol. Formula:
C36H45F3N4O4

M.W.:
654.77

Type:
Unknown

AlogP:
5.59

Polar Surface Area:
102.93

HBA:
6

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4453065

Name:
N1-((2S,3R)-3-hydroxy-4-(2-(3-methoxyphenyl)propan-2-ylamino)-1-phenylbutanShow More⌵

Mol. Formula:
C37H50N4O6

M.W.:
646.83