Compounds

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
151.46

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4581323

Name:
2-((5aS,6S,8S,9aS,10S)-6-acetoxy-10-hydroxy-5a-methyl-1-oxo-3-(pyridin-3-ylShow More⌵

Mol. Formula:
C27H31NO10

M.W.:
529.54

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
151.46

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4578690

Name:
2-((5aS,6S,8S,9aR)-6-acetoxy-5a-methyl-1,10-dioxo-3-(pyridin-3-yl)-1,5a,6,7Show More⌵

Mol. Formula:
C27H29NO10

M.W.:
527.53

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
148.30

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4576639

Name:
2-((5aS,6S,8S,9aR)-6-acetoxy-5a-methyl-1,10-dioxo-3-(pyridin-3-yl)-1,5a,6,7Show More⌵

Mol. Formula:
C27H29NO10

M.W.:
527.53

Type:
Unknown

AlogP:
2.88

Polar Surface Area:
148.30

HBA:
11

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4569948

Name:
(S)-2-((5aS,6S,8S,9aR,10R)-6-acetoxy-10-hydroxy-5a-methyl-1-oxo-3-(pyridin-Show More⌵

Mol. Formula:
C27H31NO10

M.W.:
529.54

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
151.46

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4565264

Name:
(R)-2-((5aR,6R,8R,9aR,10R)-6,10-dihydroxy-5a-methyl-1-oxo-3-(pyridin-3-yl)-Show More⌵

Mol. Formula:
C25H29NO9

M.W.:
487.51

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
145.39

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4555697

Name:
(R)-2-((5aR,6R,8R,9aR,10S)-6-acetoxy-10-hydroxy-5a-methyl-1-oxo-3-(pyridin-Show More⌵

Mol. Formula:
C27H31NO10

M.W.:
529.54

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
151.46

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4555013

Name:
(R)-2-((5aR,6R,8R,9aS,10S)-6-acetoxy-10-hydroxy-5a-methyl-1-oxo-3-(pyridin-Show More⌵

Mol. Formula:
C27H31NO10

M.W.:
529.54

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
151.46

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4554239

Name:
(S)-2-((5aS,6S,8S,9aS,10S)-6-acetoxy-10-hydroxy-5a-methyl-1-oxo-3-(pyridin-Show More⌵

Mol. Formula:
C27H31NO10

M.W.:
529.54

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
151.46

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4554131

Name:
2-((5aS,6S,8S,9aS,10S)-6-acetoxy-10-hydroxy-5a-methyl-1-oxo-3-(pyridin-3-ylShow More⌵

Mol. Formula:
C27H31NO10

M.W.:
529.54

Type:
Unknown

AlogP:
2.73

Polar Surface Area:
151.46

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4553029

Name:
(5aS,6S,8S,9aR)-8-(1-(4-cyanobenzoyloxy)-2-hydroxypropan-2-yl)-5a-methyl-1,Show More⌵

Mol. Formula:
C37H29N3O9

M.W.:
659.65

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
189.81

HBA:
12

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4539524

Name:
2-hydroxy-2-((5aS,6S,8S,9aR)-6-hydroxy-5a-methyl-1,10-dioxo-3-(pyridin-3-ylShow More⌵

Mol. Formula:
C29H26N2O8

M.W.:
530.53

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
159.95

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4536996

Name:
2-((5aS,6S,8S)-10-acetoxy-6-(4-cyanobenzoyloxy)-5a-methyl-1-oxo-3-(pyridin-Show More⌵

Mol. Formula:
C35H32N2O11

M.W.:
656.64

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
181.32

HBA:
13

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4519710

Name:
(R)-2-((5aR,6R,8R,9aR,10R)-6,10-dihydroxy-5a-methyl-1-oxo-3-(pyridin-3-yl)-Show More⌵

Mol. Formula:
C23H27NO8

M.W.:
445.47

Type:
Unknown

AlogP:
1.59

Polar Surface Area:
139.32

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3978838

Name:
N-(1,3-diphenyl-1H-pyrazol-5-yl)nonanamide

Mol. Formula:
C24H29N3O

M.W.:
375.52

2 unique targets

Type:
Small molecule

AlogP:
6.23

Polar Surface Area:
46.92

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3976360

Name:
N-nonyl-1,3-diphenyl-1H-pyrazol-5-amine

Mol. Formula:
C24H31N3

M.W.:
361.53