Compounds

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3754790

Name:
(4aS,4bR,10bS,12aS)-8-(benzyloxy)-12a-methyl-4,4a,
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Mol. Formula:
C25H28O3

M.W.:
376.50

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3754013

Name:
(1S,4aS,4bR,10aR,10bS,12aS)-7-hydroxy-1,10a,12a-tr
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Mol. Formula:
C20H28O4

M.W.:
332.44

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3751876

Name:
(4aS,4bR,10aR,10bS,12aS)-7-hydroxy-10a,12a-dimethy
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Mol. Formula:
C19H26O4

M.W.:
318.41

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3754484

Name:
(1S,4aS,4bR,6aR,8S,10aS,10bS,12aS)-8-hydroxy-1,10a
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Mol. Formula:
C20H30O3

M.W.:
318.46

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
46.53

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3753401

Name:
(1S,4aS,4bR,10aR,10bS,12aS)-1,10a,12a-trimethyl-4,
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Mol. Formula:
C20H28O3

M.W.:
316.44

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3753239

Name:
(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-
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Mol. Formula:
C25H29NO2

M.W.:
375.51

Type:
Small molecule

AlogP:
4.44

Polar Surface Area:
50.19

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3138294

Name:
10,13-Dimethyl-dodecahydro-20-oxa-cyclopropa[4,5]c
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Mol. Formula:
C19H26O3

M.W.:
302.41

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
46.67

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3138000

Name:
10,13-Dimethyl-dodecahydro-20-oxa-cyclopropa[4,5]c
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Mol. Formula:
C19H26O3

M.W.:
302.41

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
46.67

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1794921

Name:
5-[Bis-(4-chloro-phenyl)-methyl]-1,6-dihydro-pyrim
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Mol. Formula:
C34H28Cl4N4

M.W.:
634.44

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA554619

Name:
4-[Bis-(4-chloro-phenyl)-methyl]-pyridine hydrochl
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Mol. Formula:
C18H14Cl3N

M.W.:
350.68

Type:
Small molecule

AlogP:
5.57

Polar Surface Area:
12.89

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA553842

Name:
1-[Bis-(4-chloro-phenyl)-methyl]-pyrrolidine hydro
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Mol. Formula:
C17H18Cl3N

M.W.:
342.70

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
3.24

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA166507

Name:
3-Methoxy-10,13-dimethyl-5,6,7,8,9,10,11,12,13,14,
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Mol. Formula:
C20H28O3

M.W.:
316.44

Type:
Small molecule

AlogP:
3.92

Polar Surface Area:
43.37

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA422382

Name:
Benzoic acid 10,13-dimethyl-3,17-dioxo-8,9,10,11,1
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Mol. Formula:
C26H26O4

M.W.:
402.49

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA349660

Name:
Benzoic acid 10,13-dimethyl-3,17-dioxo-2,3,6,7,8,9
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Mol. Formula:
C26H30O4

M.W.:
406.52

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA167676

Name:
Benzoic acid 10,13-dimethyl-3,17-dioxo-2,3,8,9,10,
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Mol. Formula:
C26H28O4

M.W.:
404.51

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA166635

Name:
4-Hydroxy-10,13-dimethyl-9,10,11,12,13,14,15,16-oc
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Mol. Formula:
C19H22O3

M.W.:
298.38

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
54.37

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA168097

Name:
Acetic acid 10,13-dimethyl-3,17-dioxo-6,7,8,9,10,1
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Mol. Formula:
C21H26O4

M.W.:
342.44

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
60.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA351449

Name:
6-Bromo-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15
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Mol. Formula:
C19H25BrO2

M.W.:
365.31

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
34.14

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA441302

Name:
Heptanoic acid 10,13-dimethyl-3,17-dioxo-2,3,6,7,8
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Mol. Formula:
C26H38O4

M.W.:
414.59