Compounds

ALA4104798

Name:
3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-Show More⌵

Mol. Formula:
C22H30N2O

M.W.:
338.50

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
41.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4103910

Name:
3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-Show More⌵

Mol. Formula:
C21H34N2O2

M.W.:
346.52

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
41.57

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4102786

Name:
3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-Show More⌵

Mol. Formula:
C23H31NO

M.W.:
337.51

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.06

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4099378

Name:
N-(4-bromophenethyl)-3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-Show More⌵

Mol. Formula:
C23H30BrNO

M.W.:
416.40

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4096155

Name:
3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-N-(2-methShow More⌵

Mol. Formula:
C18H29NO2

M.W.:
291.44

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4088435

Name:
3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-N-(2-fluoShow More⌵

Mol. Formula:
C22H28FNO

M.W.:
341.47

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4085993

Name:
3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-N-isopentShow More⌵

Mol. Formula:
C20H33NO

M.W.:
303.49

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4080571

Name:
3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-N-(4-fluoShow More⌵

Mol. Formula:
C22H28FNO

M.W.:
341.47

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4078502

Name:
3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-N-(4-fluoShow More⌵

Mol. Formula:
C23H30FNO

M.W.:
355.50

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4072446

Name:
N-benzyl-3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-Show More⌵

Mol. Formula:
C22H29NO

M.W.:
323.48

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.02

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4067177

Name:
3-((4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-N-(3-fluoShow More⌵

Mol. Formula:
C22H28FNO

M.W.:
341.47

5 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
29.10

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3105104

Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetShow More⌵

Mol. Formula:
C27H30Cl2O6

M.W.:
521.44

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
104.06

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3105098

Name:
Ingenol 3-(2-methylaminobenzoate)

Mol. Formula:
C28H35NO6

M.W.:
481.59

9 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
116.09

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3105088

Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-4-(benzyloxy)-5,6-dihydroxy-7-(hydroxymethyl)-Show More⌵

Mol. Formula:
C27H34O5

M.W.:
438.56

7 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.04

Polar Surface Area:
86.99

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3105027

Name:
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetShow More⌵

Mol. Formula:
C31H34O6

M.W.:
502.61

16 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.83

Polar Surface Area:
104.06

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1923953

Name:
L-ascorbyl-2-phosphate magnesium

Mol. Formula:
C6H7MgO9P

M.W.:
278.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.86

Polar Surface Area:
153.75

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.29

DETAILS