Compounds

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3215355

Name:
17-Acetyl-16,17-dihydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,1Show More⌵

Mol. Formula:
C21H30O4

M.W.:
346.47

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3138392

Name:
3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one

Mol. Formula:
C19H30O2

M.W.:
290.45

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2364533

Name:
11,17-Dihydroxy-17-(2-hydroxy-acetyl)-2,10,13-trimethyl-1,2,6,7,8,9,10,11,1Show More⌵

Mol. Formula:
C22H34O4

M.W.:
362.51

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

Algestone

Name:
17-Acetyl-16,17-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,1Show More⌵

Mol. Formula:
C21H30O4

M.W.:
346.47

9 activity values

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA2311119

Name:
17-Acetyl-10,13,16-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahShow More⌵

Mol. Formula:
C22H32O2

M.W.:
328.50

14 activity values

5 unique targets

Type:
Small molecule

AlogP:
4.97

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1628040

Name:
13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthreneShow More⌵

Mol. Formula:
C18H24O2

M.W.:
272.39

2 activity values

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.76

DETAILS

ALA1232445

Name:
(16R,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phShow More⌵

Mol. Formula:
C18H24O3

M.W.:
288.39

43 activity values

16 unique targets

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA408706

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

Mol. Formula:
C21H32O3

M.W.:
332.48

21 activity values

10 unique targets

Type:
Small molecule

AlogP:
3.63

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

5-Pregnen-3β-ol-20-one

Name:
1-(3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahyShow More⌵

Mol. Formula:
C21H32O2

M.W.:
316.49

97 activity values

48 unique targets

Type:
Small molecule

AlogP:
4.52

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

Cortisone

Name:
17-Hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-1,6,7,8,9,10,12,13,14,15,16Show More⌵

Mol. Formula:
C21H28O5

M.W.:
360.45

691 activity values

207 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
91.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

Cortexolone

Name:
17-Hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,Show More⌵

Mol. Formula:
C21H30O4

M.W.:
346.47

91 activity values

39 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA389621

Name:
(R)-11,17-Dihydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,Show More⌵

Mol. Formula:
C21H30O5

M.W.:
362.47

1,493 activity values

272 unique targets

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
94.83

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

Estrone

Name:
(estrone) 5-hydroxy-15-methyl-(1S,11S)-tetracyclo[8.7.0.02,7.011,15]heptadeShow More⌵

Mol. Formula:
C18H22O2

M.W.:
270.37

623 activity values

192 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

Estriol

Name:
(R)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthShow More⌵

Mol. Formula:
C18H24O3

M.W.:
288.39

942 activity values

159 unique targets

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
60.69

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA152385

Name:
(13S,17S)-17-Acetyl-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecaShow More⌵

Mol. Formula:
C20H28O2

M.W.:
300.44

Type:
Small molecule

AlogP:
4.33

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA136576

Name:
10,13-Dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopShow More⌵

Mol. Formula:
C19H30O2

M.W.:
290.45

2 activity values

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA136245

Name:
11-Hydroxy-17-(2-hydroxy-acetyl)-2,9,10,13-tetramethyl-1,2,6,7,8,9,10,11,12Show More⌵

Mol. Formula:
C22H31FO4

M.W.:
378.48

Type:
Small molecule

AlogP:
3.00

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

Corticosterone

Name:
11-Hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,Show More⌵

Mol. Formula:
C21H30O4

M.W.:
346.47

269 activity values

79 unique targets

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA324438

Name:
17-Acetyl-10,13,16-trimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahShow More⌵

Mol. Formula:
C22H32O2

M.W.:
328.50