Compounds

ALA3138313

Name:
(3R,5S,17S)-10,13-Dimethyl-hexadecahydro-cyclopenta[a]phenanthrene-3,17-dioShow More⌵

Mol. Formula:
C19H32O2

M.W.:
292.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3138312

Name:
(S)-10,13-Dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one

Mol. Formula:
C19H30O

M.W.:
274.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3138310

Name:
(5S,17S)-17-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3Show More⌵

Mol. Formula:
C19H30O2

M.W.:
290.45

1 activity values

1 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

ALA3137955

Name:
(S)-17-Ethyl-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one

Mol. Formula:
C21H34O

M.W.:
302.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3137950

Name:
(S)-10,13-Dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-one

Mol. Formula:
C19H30O

M.W.:
274.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3137949

Name:
(5S,9R,14S)-13-Methyl-tetradecahydro-cyclopenta[a]phenanthrene-3,17-dione

Mol. Formula:
C18H26O2

M.W.:
274.40

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3137948

Name:
(3R,5S,9R,14S)-3-Hydroxy-13-methyl-hexadecahydro-cyclopenta[a]phenanthren-1Show More⌵

Mol. Formula:
C18H28O2

M.W.:
276.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3137947

Name:
(S)-10,13-Dimethyl-tetradecahydro-cyclopenta[a]phenanthrene-3,17-dione

Mol. Formula:
C19H28O2

M.W.:
288.43

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2311172

Name:
(3R,5R)-10,13-Dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol

Mol. Formula:
C19H32O

M.W.:
276.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

androstanol

Name:
(3R,5S)-10,13-Dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-ol

Mol. Formula:
C19H32O

M.W.:
276.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

4-Androsten-11β-ol-3,17-dione

Name:
(S)-11-Hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-2HShow More⌵

Mol. Formula:
C19H26O3

M.W.:
302.41

7 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
54.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

Androsta-1，4-diene-3，17-dione

Name:
10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-6H-cyclopenta[a]phenantShow More⌵

Mol. Formula:
C19H24O2

M.W.:
284.40

28 activity values

11 unique targets

Type:
Small molecule

AlogP:
3.86

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA485938

Name:
4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one

Mol. Formula:
C19H22O3

M.W.:
298.38

45 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA485743

Name:
1-(4-methoxyphenyl)-4-phenylbutan-1-one

Mol. Formula:
C17H18O2

M.W.:
254.33

40 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

TCPOBOP

Name:
1,4-bis[2-(3,5-dichloropyridyloxy)]benzene

Mol. Formula:
C16H8Cl4N2O2

M.W.:
402.06

85 activity values

31 unique targets

Type:
Small molecule

AlogP:
6.67

Polar Surface Area:
44.24

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

5β-Dihydro Progesterone

Name:
(R)-17-Acetyl-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one

Mol. Formula:
C21H32O2

M.W.:
316.49

10 activity values

7 unique targets

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

5α-Pregnane-3,20-dione

Name:
(S)-17-Acetyl-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one

Mol. Formula:
C21H32O2

M.W.:
316.49

12 activity values

9 unique targets

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

17-Deoxyestradiol

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

Mol. Formula:
C18H24O

M.W.:
256.39

12 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.64

Polar Surface Area:
20.23

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA196228

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

Mol. Formula:
C19H28O2

M.W.:
288.43

15 activity values

11 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA143165

Name:
(R)-3-Hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahyShow More⌵

Mol. Formula:
C19H28O2

M.W.:
288.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.69

DETAILS