Compounds

ALA3785701

Name:
(E)-3-(4-(2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-ditShow More⌵

Mol. Formula:
C26H30O2S2

M.W.:
438.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.81

Polar Surface Area:
37.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3785624

Name:
3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)phenyl]pShow More⌵

Mol. Formula:
C24H28O3

M.W.:
364.49

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
54.37

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3787627

Name:
3-{4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dioxolaShow More⌵

Mol. Formula:
C26H32O4

M.W.:
408.54

17 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.30

Polar Surface Area:
55.76

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3786581

Name:
(E)-3-(4-(2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dioShow More⌵

Mol. Formula:
C26H30O4

M.W.:
406.52

17 activity values

10 unique targets

Type:
Small molecule

AlogP:
5.38

Polar Surface Area:
55.76

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3786324

Name:
3-{4-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-methyl]phenylShow More⌵

Mol. Formula:
C24H30O2

M.W.:
350.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.64

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3787691

Name:
(Z)-4-(2-(Hydroxyimino)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalenShow More⌵

Mol. Formula:
C23H27NO4

M.W.:
381.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
79.12

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3785511

Name:
4-(2-Hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethoxShow More⌵

Mol. Formula:
C23H28O4

M.W.:
368.47

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3787564

Name:
4-(2-Oxo-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethoxy)beShow More⌵

Mol. Formula:
C23H26O4

M.W.:
366.46

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.00

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

MM 11253

Name:
6-(2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dithiolan-Show More⌵

Mol. Formula:
C28H30O2S2

M.W.:
462.68

9 activity values

6 unique targets

Type:
Small molecule

AlogP:
7.57

Polar Surface Area:
37.30

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3786620

Name:
6-(2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dioxolan-2Show More⌵

Mol. Formula:
C28H30O4

M.W.:
430.54

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
55.76

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

Talarozole

Name:
TALAROZOLE

Mol. Formula:
C21H23N5S

M.W.:
377.52

15 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
55.63

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS