Compounds

ALA5273329

Name:
2-(2-(trifluoromethyl)benzylidene)-6-(2-(trifluoromethyl)benzylidene)cyclohShow More⌵

Mol. Formula:
C22H16F6O

M.W.:
410.36

Type:
---

AlogP:
6.94

Polar Surface Area:
17.07

HBA:
1

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3659493

Name:
US8476267, 2

Mol. Formula:
C22H20ClN3O

M.W.:
377.88

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
48.99

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3291352

Name:
(4S,7R)-3-Methoxy-7,8,8-trimethyl-2-p-tolyl-4,5,6,7-tetrahydro-2H-4,7-methaShow More⌵

Mol. Formula:
C19H24N2O

M.W.:
296.41

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
27.05

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3291350

Name:
(4S,7R)-2-(3-Iodo-phenyl)-1,7,8,8-tetramethyl-1,2,4,5,6,7-hexahydro-4,7-metShow More⌵

Mol. Formula:
C18H21IN2O

M.W.:
408.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
26.93

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3291349

Name:
(4S,7R)-2-(2,6-Dichloro-phenyl)-1,7,8,8-tetramethyl-1,2,4,5,6,7-hexahydro-4Show More⌵

Mol. Formula:
C18H20Cl2N2O

M.W.:
351.28

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.66

Polar Surface Area:
26.93

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2409732

Name:
trans-(4aR,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3Show More⌵

Mol. Formula:
C13H22N2O3S

M.W.:
286.40

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
67.76

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA2402470

Name:
1-((2R,6R)-1-(4-amino-3,5-dichlorobenzoyl)-2,6-dimethylpiperidin-4-yl)-1H-bShow More⌵

Mol. Formula:
C21H22Cl2N4O2

M.W.:
433.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
84.12

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA2402167

Name:
1,5-bis(3-methoxy-4-(tetrahydro-2H-pyran-2-yloxy)phenyl)penta-1,4-dien-3-onShow More⌵

Mol. Formula:
C29H34O7

M.W.:
494.58

6 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.81

Polar Surface Area:
72.45

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

AZD8329

Name:
4-[4-(2-Adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]-benzoic Acid

Mol. Formula:
C25H31N3O3

M.W.:
421.54

75 activity values

31 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
84.22

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA113962

Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13Show More⌵

Mol. Formula:
C32H51NO4

M.W.:
513.76

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
86.63

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA322753

Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13Show More⌵

Mol. Formula:
C35H57NO4

M.W.:
555.84

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.61

Polar Surface Area:
86.63

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA110042

Name:
2-[((2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyShow More⌵

Mol. Formula:
C35H55NO5

M.W.:
569.83

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
92.70

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA320044

Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13Show More⌵

Mol. Formula:
C33H51NO3

M.W.:
509.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.61

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA110067

Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13Show More⌵

Mol. Formula:
C34H54N2O4

M.W.:
554.82

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
78.87

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA110049

Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13Show More⌵

Mol. Formula:
C36H58N2O4

M.W.:
582.87

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
78.87

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA430525

Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13Show More⌵

Mol. Formula:
C34H51NO5

M.W.:
553.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.76

Polar Surface Area:
92.70

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA109757

Name:
(2S,4aS,6aS,6bR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13Show More⌵

Mol. Formula:
C30H46O4

M.W.:
470.69

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.41

Polar Surface Area:
74.60

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.46

DETAILS