Compounds

ALA5287573

Name:
4-(3-chlorophenyl)-1-((3R,5aS,6R,8aS,9R,12R,12aR)-
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Mol. Formula:
C23H28ClN3O4

M.W.:
445.95

Type:
---

AlogP:
4.98

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5287158

Name:
1-((4-methoxyphenyl)sulfonyl)-4-(4-methylcyclohexy
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Mol. Formula:
C19H29NO3S

M.W.:
351.51

Type:
---

AlogP:
3.92

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5285952

Name:
4-(4-fluorophenyl)-1-((3R,5aS,6R,8aS,9S,10S,12R,12
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Mol. Formula:
C23H28FN3O4

M.W.:
429.49

Type:
---

AlogP:
4.46

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5285517

Name:
4-(4-methoxyphenyl)-1-((3R,5aS,6R,8aS,9S,10S,12R,1
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Mol. Formula:
C24H31N3O5

M.W.:
441.53

Type:
---

AlogP:
4.33

Polar Surface Area:
76.86

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5283746

Name:
5-(p-tolyl)-1-((3R,5aS,6R,8aS,9R,10R,12R,12aR)-3,6
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Mol. Formula:
C24H31N3O4

M.W.:
425.53

Type:
---

AlogP:
4.63

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5281729

Name:
4-(p-tolyl)-1-((3R,5aS,6R,8aS,9S,10S,12R,12aR)-3,6
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Mol. Formula:
C24H31N3O4

M.W.:
425.53

Type:
---

AlogP:
4.63

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5278135

Name:
N'-(1-(2-hydroxy-4-methylphenyl)propylidene)-2-((2
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Mol. Formula:
C22H29N5O3

M.W.:
411.51

Type:
---

AlogP:
2.38

Polar Surface Area:
99.08

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5277799

Name:
5-(4-chlorophenyl)-1-((3R,5aS,6R,8aS,9R,10R,12R,12
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Mol. Formula:
C23H28ClN3O4

M.W.:
445.95

Type:
---

AlogP:
4.98

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5290596

Name:
5-(4-methoxyphenyl)-1-((3R,5aS,6R,8aS,9R,10R,12R,1
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Mol. Formula:
C24H31N3O5

M.W.:
441.53

Type:
---

AlogP:
4.33

Polar Surface Area:
76.86

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5290294

Name:
5-bromo-N-(2,3-dihydroxypropoxy)-2-((2,4-dimethylp
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Mol. Formula:
C20H25BrN2O4

M.W.:
437.33

Type:
---

AlogP:
3.44

Polar Surface Area:
90.82

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5289212

Name:
5-phenyl-1-((3R,5aS,6R,8aS,9R,10R,12R,12aR)-3,6,9-
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Mol. Formula:
C23H29N3O4

M.W.:
411.50

Type:
---

AlogP:
4.33

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5288801

Name:
5-(4-pentylphenyl)-1-((3R,5aS,6R,8aS,9R,10R,12R,12
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Mol. Formula:
C28H39N3O4

M.W.:
481.64

Type:
---

AlogP:
6.06

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5288728

Name:
4-(2-(trifluoromethyl)phenyl)-1-((3R,5aS,6R,8aS,9S
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Mol. Formula:
C24H28F3N3O4

M.W.:
479.50

Type:
---

AlogP:
5.34

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5288134

Name:
4-(3-chlorophenyl)-1-((3R,5aS,6R,8aS,9S,10S,12R,12
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Mol. Formula:
C23H28ClN3O4

M.W.:
445.95

Type:
---

AlogP:
4.98

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5288028

Name:
N'-(1-(2-hydroxy-3,5-dimethylphenyl)propylidene)be
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Mol. Formula:
C18H20N2O2

M.W.:
296.37

Type:
---

AlogP:
3.55

Polar Surface Area:
61.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1094824

Name:
1-hydroxy-3-methoxy-10-methyl-9-acridone

Mol. Formula:
C15H13NO3

M.W.:
255.27

64 activity values

62 unique targets

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
51.46

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4550634

Name:
1'-((4-Bromo-3-chlorophenyl)sulfonyl)-4-methyl-1,4
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Mol. Formula:
C17H24BrClN2O2S

M.W.:
435.82

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4525672

Name:
1'-(Phenylsulfonyl)-2-(prop-2-yn-1-yl)-1,4'-bipipe
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Mol. Formula:
C19H26N2O2S

M.W.:
346.50

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4525195

Name:
1'-((4-Bromo-2-ethylphenyl)sulfonyl)-4-methyl-1,4'
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Mol. Formula:
C19H29BrN2O2S

M.W.:
429.42

6 activity values

5 unique targets

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
40.62

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4524927

Name:
1'-((2'-Methoxy-[1,1'-biphenyl]-3-yl)sulfonyl)-4-m
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Mol. Formula:
C24H32N2O3S

M.W.:
428.60

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
49.85

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS