Compounds

ALA3138491

Name:
(2R,3R)-2-((3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethylhexadecahyShow More⌵

Mol. Formula:
C27H48O3

M.W.:
420.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.55

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3138479

Name:
(2R,3R)-2-((5R,8R,9S,10S,13S,14S,17S)-10,13-dimethylhexadecahydro-1H-cyclopShow More⌵

Mol. Formula:
C27H48O2

M.W.:
404.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.58

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA559048

Name:
(2S,3R,5R,8S,9S,10R,13S,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2Show More⌵

Mol. Formula:
C27H46O5

M.W.:
450.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
97.99

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA558652

Name:
(3S,5S,6R,8R,9S,10R,13S,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2Show More⌵

Mol. Formula:
C27H48O4

M.W.:
436.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA558256

Name:
(3R,5R,8S,9S,10R,13S,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-ylShow More⌵

Mol. Formula:
C27H46O4

M.W.:
434.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

Ecdysone

Name:
Ecdysone

Mol. Formula:
C27H44O6

M.W.:
464.64

14 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
118.22

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA564892

Name:
(2R,3S,5S,8S,9S,10R,13S,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2Show More⌵

Mol. Formula:
C27H46O5

M.W.:
450.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
97.99

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA562711

Name:
(2S,3R,5S,8S,9S,10R,13S,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2Show More⌵

Mol. Formula:
C27H46O5

M.W.:
450.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
97.99

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

Ponasterone A

Name:
Ponasterone A

Mol. Formula:
C27H44O6

M.W.:
464.64

22 activity values

10 unique targets

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
118.22

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA560796

Name:
(3S,5S,8S,9S,10R,13S,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-ylShow More⌵

Mol. Formula:
C27H46O4

M.W.:
434.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

Oxy-16, Oxysterol

Name:
(2R,3R)-2-((3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,Show More⌵

Mol. Formula:
C27H46O3

M.W.:
418.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.47

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA560139

Name:
(3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2Show More⌵

Mol. Formula:
C27H48O4

M.W.:
436.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
80.92

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA559941

Name:
(3R,5S,8S,9S,10R,13S,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-ylShow More⌵

Mol. Formula:
C27H46O4

M.W.:
434.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA559545

Name:
(2R,3R)-2-((8S,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,1Show More⌵

Mol. Formula:
C27H46O2

M.W.:
402.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA564474

Name:
(2R,3S,5S,8S,9S,10R,13S,14S,17S)-17-((2R,3S)-2,3-dihydroxy-6-methylheptan-2Show More⌵

Mol. Formula:
C27H46O5

M.W.:
450.66

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
97.99

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA564971

Name:
Inokosterone

Mol. Formula:
C27H44O7

M.W.:
480.64

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.71

Polar Surface Area:
138.45

HBA:
7

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS