Compounds

ALA5272238

Name:
di-tert-butyl (((2R,2aR,4R,4aR,6aR)-2,4-dimethylhexahydro-1,3,5-trioxa-2a1-Show More⌵

Mol. Formula:
C22H39N3O7

M.W.:
457.57

Type:
---

AlogP:
2.61

Polar Surface Area:
90.01

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5270624

Name:
N,N'-(((2S,2aR,4R,4aR,6aR)-2,4-dimethylhexahydro-1,3,5-trioxa-2a1-azacyclopShow More⌵

Mol. Formula:
C26H51N3O7S2

M.W.:
581.84

Type:
---

AlogP:
3.43

Polar Surface Area:
123.27

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5282613

Name:
di-tert-butyl (((2R,2aR,4S,4aR,6aR)-2,4-dimethylhexahydro-1,3,5-trioxa-2a1-Show More⌵

Mol. Formula:
C20H35N3O7

M.W.:
429.51

Type:
---

AlogP:
1.92

Polar Surface Area:
107.59

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5281382

Name:
di-tert-butyl (((2R,2aR,4aR,6S,6aR)-2,6-dimethylhexahydro-1,3,5-trioxa-2a1-Show More⌵

Mol. Formula:
C20H35N3O7

M.W.:
429.51

Type:
---

AlogP:
1.92

Polar Surface Area:
107.59

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5281062

Name:
N,N'-(((2aR,4R,4aR,6S,6aR)-4,6-dimethylhexahydro-1,3,5-trioxa-2a1-azacyclopShow More⌵

Mol. Formula:
C26H51N3O7S2

M.W.:
581.84

Type:
---

AlogP:
3.43

Polar Surface Area:
123.27

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5276558

Name:
N,N'-(((2R,2aR,4R,4aR,6aR)-2,4-dimethylhexahydro-1,3,5-trioxa-2a1-azacyclopShow More⌵

Mol. Formula:
C28H55N3O7S2

M.W.:
609.90

Type:
---

AlogP:
4.12

Polar Surface Area:
105.69

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5273790

Name:
(R)-(3-(((5-fluoropyridin-2-yl)oxy)methyl)piperidin-1-yl)(5-methyl-2-(2H-1,Show More⌵

Mol. Formula:
C21H22FN5O2

M.W.:
395.44

Type:
---

AlogP:
3.04

Polar Surface Area:
73.14

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5289437

Name:
1,1'-(((2R,2aR,4R,4aR,6aR)-2,4-dimethylhexahydro-1,3,5-trioxa-2a1-azacyclopShow More⌵

Mol. Formula:
C20H37N5O5

M.W.:
427.55

Type:
---

AlogP:
1.07

Polar Surface Area:
113.19

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5267025

Name:
(6-methyl-3-pyrimidin-2-yl-2-pyridyl)-[(1R,3S,6R)-3-[[[5-(trifluoromethyl)-Show More⌵

Mol. Formula:
C21H20F3N7OS

M.W.:
475.50

Type:
---

AlogP:
3.68

Polar Surface Area:
96.79

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5266169

Name:
(5-methyl-2-pyrazin-2-yl-phenyl)-[(7S)-7-[[[6-(trifluoromethyl)-2-pyridyl]aShow More⌵

Mol. Formula:
C26H26F3N5O

M.W.:
481.52

Type:
---

AlogP:
5.36

Polar Surface Area:
71.01

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5209514

Name:
N-[7-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxy-phenyl]sulfonylamino]-1-naShow More⌵

Mol. Formula:
C35H33N3O6S

M.W.:
623.73

4 activity values

2 unique targets

Type:
---

AlogP:
6.30

Polar Surface Area:
105.25

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5209380

Name:
N,N'-(((2aS,4S,4aS,6S,6aS)-4,6-dimethylhexahydro-1,3,5-trioxa-2a1-azacyclopShow More⌵

Mol. Formula:
C32H31N3O7S2

M.W.:
633.75

2 activity values

2 unique targets

Type:
---

AlogP:
4.79

Polar Surface Area:
123.27

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5209224

Name:
N-[(1R,4R,7S,12R,13R)-3-(cyclopropylmethyl)-7-hydroxy-9-methoxy-4,5,12,13,1Show More⌵

Mol. Formula:
C28H30N2O4

M.W.:
458.56

1 activity values

1 unique targets

Type:
---

AlogP:
3.81

Polar Surface Area:
55.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5209192

Name:
di-tert-butyl (((2aS,4R,4aS,6S,6aS)-4,6-dimethylhexahydro-1,3,5-trioxa-2a1-Show More⌵

Mol. Formula:
C30H39N3O7

M.W.:
553.66

2 activity values

2 unique targets

Type:
---

AlogP:
5.88

Polar Surface Area:
107.59

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5208933

Name:
3-[4-methoxy-3-[[8-[(4-methoxybenzoyl)-methyl-amino]-2-naphthyl]sulfamoyl]pShow More⌵

Mol. Formula:
C35H33N3O6S

M.W.:
623.73

5 activity values

3 unique targets

Type:
---

AlogP:
6.30

Polar Surface Area:
105.25

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5208842

Name:
(2aS,4S,4aS,6R,6aS)-4,6-dimethyl-4,6-bis(4-nitrophenyl)hexahydro-1,3,5-trioShow More⌵

Mol. Formula:
C20H19N3O7

M.W.:
413.39

2 activity values

2 unique targets

Type:
---

AlogP:
3.00

Polar Surface Area:
117.21

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5208227

Name:
(E)-N-[(4R,7R,7aR,12bS)-3-[2-(dimethylamino)phenyl]sulfonyl-9-methoxy-2,4,6Show More⌵

Mol. Formula:
C33H35N3O6S

M.W.:
601.73

3 activity values

2 unique targets

Type:
---

AlogP:
4.24

Polar Surface Area:
92.53

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5207891

Name:
N,N'-(((2aS,4R,4aS,6R,6aS)-4,6-Dimethylhexahydro-1,3,5-trioxa-2a1-azacyclopShow More⌵

Mol. Formula:
C38H41N5O5

M.W.:
647.78

2 activity values

2 unique targets

Type:
---

AlogP:
5.82

Polar Surface Area:
95.61

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5207350

Name:
N-[(4R,4aR,7R,7aR,12bS)-3-[2-(dimethylamino)phenyl]sulfonyl-9-methoxy-2,4,4Show More⌵

Mol. Formula:
C33H37N3O6S

M.W.:
603.74

3 activity values

2 unique targets

Type:
---

AlogP:
4.32

Polar Surface Area:
92.53

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5207082

Name:
N,N'-(((2aS,4R,4aS,6R,6aS)-4,6-Dimethylhexahydro-1,3,5-trioxa-2a1-azacyclopShow More⌵

Mol. Formula:
C36H35N3O7

M.W.:
621.69

2 activity values

2 unique targets

Type:
---

AlogP:
5.71

Polar Surface Area:
107.59

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS