Compounds

Type:
Unknown

AlogP:
6.04

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4540042

Name:
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxo-N-(1,1,1-trifluoro-2-pheShow More⌵

Mol. Formula:
C28H35F3N2O2

M.W.:
488.59

6 activity values

Type:
Unknown

AlogP:
5.49

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4064645

Name:
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxo-N-phenylhexadecahydro-1HShow More⌵

Mol. Formula:
C25H34N2O2

M.W.:
394.56

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3754321

Name:
17a-Allyl-3-tetrazolo-17a-aza-D-homo-3,5-androstadien-17-one

Mol. Formula:
C23H31N5O

M.W.:
393.54

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
74.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3753825

Name:
17a-Methyl-3-tetrazolo-17a-aza-D-homo-3,5-androstadien-17-one

Mol. Formula:
C21H29N5O

M.W.:
367.50

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
74.77

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3752475

Name:
3-Tetrazolo-17a-aza-D-homo-3,5-androstadien-17-one

Mol. Formula:
C20H27N5O

M.W.:
353.47

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
83.56

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3753791

Name:
3-Tetrazolo-3,5-pregnadien-20-one

Mol. Formula:
C22H30N4O

M.W.:
366.51

21 activity values

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
71.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3753809

Name:
3-Tetrazolo-19-nor-3,5-androstadien-17-one

Mol. Formula:
C19H24N4O

M.W.:
324.43

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
71.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3754525

Name:
3-Tetrazolo-3,5-androstadien-17-one

Mol. Formula:
C20H26N4O

M.W.:
338.45

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
71.53

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA3706586

Name:
(1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahShow More⌵

Mol. Formula:
C23H34N2O2

M.W.:
370.54

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3706585

Name:
(1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodeShow More⌵

Mol. Formula:
C24H36N2O2

M.W.:
384.56

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3706584

Name:
(1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahShow More⌵

Mol. Formula:
C29H40N2O2

M.W.:
448.65

4 activity values

Type:
Small molecule

AlogP:
4.76

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3706583

Name:
(1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahShow More⌵

Mol. Formula:
C23H34N2O2

M.W.:
370.54

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
49.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3706581

Name:
(1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahShow More⌵

Mol. Formula:
C32H36N2O2

M.W.:
480.65

4 activity values

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3085538

Name:
(1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetShow More⌵

Mol. Formula:
C29H41NO3

M.W.:
451.65

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2311155

Name:
(10R,13S)-10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2H-cyclShow More⌵

Mol. Formula:
C19H26O2

M.W.:
288.42

Type:
Small molecule

AlogP:
4.09

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2115222

Name:
(1S,9aR,11aS)-6-Chloro-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10,1Show More⌵

Mol. Formula:
C27H29ClF6N2O2

M.W.:
562.98

Type:
Small molecule

AlogP:
7.14

Polar Surface Area:
58.20

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1627708

Name:
17-Diisopropylcarbamoyl-4-fluoro-13-methyl-7,8,9,11,12,13,14,15,16,17-decahShow More⌵

Mol. Formula:
C26H36FNO3

M.W.:
429.58

4 activity values

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
57.61

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1159458

Name:
(1S,9aR,11aS)-6,9a,11a-Trimethyl-1-(3-methyl-butyryl)-1,2,3,3a,3b,4,5,8,9,9Show More⌵

Mol. Formula:
C36H52O15

M.W.:
724.80