Compounds

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
110.01

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4777078

Name:
(2S,3R)-N-((R)-1-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)(methyl)amino)-3-(4Show More⌵

Mol. Formula:
C28H47N3O5

M.W.:
505.70

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
113.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4776847

Name:
(R)-N-((R)-1-(((S)-1-amino-1-oxopropan-2-yl)(methyl)amino)-3-(4-methoxyphenShow More⌵

Mol. Formula:
C26H41N3O5

M.W.:
475.63

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
110.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4764893

Name:
(R)-N-((R)-1-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)(methyl)amino)-3-(4-metShow More⌵

Mol. Formula:
C24H37N3O5

M.W.:
447.58

Type:
Unknown

AlogP:
2.04

Polar Surface Area:
110.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4762990

Name:
(R)-N-((R)-1-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)(methyl)amino)-3-(3,5-dShow More⌵

Mol. Formula:
C28H43Cl2N3O5

M.W.:
572.57

3 activity values

Type:
Unknown

AlogP:
4.91

Polar Surface Area:
110.01

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4761182

Name:
(R)-N-((R)-1-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)(methyl)amino)-3-(4-metShow More⌵

Mol. Formula:
C26H41N3O5

M.W.:
475.63

Type:
Unknown

AlogP:
2.82

Polar Surface Area:
110.01

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4744121

Name:
(2R,3S)-N-((R)-1-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)(methyl)amino)-3-(4Show More⌵

Mol. Formula:
C28H47N3O5

M.W.:
505.70

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
113.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4218513

Name:
2-(2-Bromo-phenyl)-5-hydroxy-3-(3-hydroxy-butyl)-8,8-dimethyl-8H-pyrano[2,3Show More⌵

Mol. Formula:
C24H23BrO5

M.W.:
471.35

Type:
Small molecule

AlogP:
5.43

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4218440

Name:
2-(2-bromo-phenyl)-5-hydroxy-8,8-dimethyl-3-(3-oxo-butyl)-8H-pyrano[2,3-f]cShow More⌵

Mol. Formula:
C24H21BrO5

M.W.:
469.33

Type:
Small molecule

AlogP:
5.63

Polar Surface Area:
76.74

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4217152

Name:
2-(2-chlorophenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethylpyranoShow More⌵

Mol. Formula:
C25H25ClO5

M.W.:
440.92

Type:
Small molecule

AlogP:
5.71

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4216448

Name:
2-(2-bromo-phenyl)-5-hydroxy-3-(3-hydroxy-3-methyl-butyl)-8,8-dimethyl-8H-pShow More⌵

Mol. Formula:
C25H25BrO5

M.W.:
485.37

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4214572

Name:
2-(2-Chloro-phenyl)-5-hydroxy-3-(3-hydroxy-butyl)-8,8-dimethyl-8H-pyrano[2,Show More⌵

Mol. Formula:
C24H23ClO5

M.W.:
426.90

Type:
Small molecule

AlogP:
5.32

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4213881

Name:
2-(2-bromophenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethylpyrano[Show More⌵

Mol. Formula:
C25H25BrO5

M.W.:
485.37

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.82

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4213515

Name:
2-(2-Chloro-phenyl)-5-hydroxy-8,8-dimethyl-3-(3-oxo-butyl)-8H-pyrano[2,3-f]Show More⌵

Mol. Formula:
C24H21ClO5

M.W.:
424.88

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
76.74

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4213073

Name:
2-(2-bromophenyl)-5-hydroxy-8,8-dimethyl-3-(3-oxobutyl)pyrano[3,2-g]chromenShow More⌵

Mol. Formula:
C24H21BrO5

M.W.:
469.33

Type:
Small molecule

AlogP:
5.63

Polar Surface Area:
76.74

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4212304

Name:
2-(2-Bromo-phenyl)-5-hydroxy-3-(3-hydroxy-3-phenyl-butyl)-8,8-dimethyl-8H-pShow More⌵

Mol. Formula:
C30H27BrO5

M.W.:
547.45

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.95

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4212025

Name:
2-(2-bromophenyl)-3-(3-(4-fluorophenyl)-3-hydroxybutyl)-5-hydroxy-8,8-dimetShow More⌵

Mol. Formula:
C30H26BrFO5

M.W.:
565.44

Type:
Small molecule

AlogP:
7.09

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4210689

Name:
2-(2-bromo-phenyl)-3-[3-(4-fluoro-phenyl)-3-hydroxy-butyl]-5-hydroxy-8,8-diShow More⌵

Mol. Formula:
C30H26BrFO5

M.W.:
565.44

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.09

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4209050

Name:
2-(2-Chloro-phenyl)-3-[3-(4-fluoro-phenyl)-3-hydroxy-butyl]-5-hydroxy-8,8-dShow More⌵

Mol. Formula:
C30H26ClFO5

M.W.:
520.98