Compounds

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
44.81

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA3981127

Name:
US9428478, TG6-197

Mol. Formula:
C22H27N3O4

M.W.:
397.48

Type:
Small molecule

AlogP:
2.67

Polar Surface Area:
71.11

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3980488

Name:
US9428478, TG2-150

Mol. Formula:
C21H25N3O3

M.W.:
367.45

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
61.88

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA3979526

Name:
US9428478, TG6-190

Mol. Formula:
C23H25N3O3

M.W.:
391.47

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
65.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3978208

Name:
US9428478, TG2-171-1

Mol. Formula:
C20H23N3O3

M.W.:
353.42

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
72.88

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3974678

Name:
US9428478, TG6-191

Mol. Formula:
C21H20FN3O3

M.W.:
381.41

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
65.90

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3973255

Name:
US9428478, TG6-120-4

Mol. Formula:
C20H23N3O3

M.W.:
353.42

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
72.88

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3972131

Name:
US9428478, TG6-144-2

Mol. Formula:
C20H24N4O2

M.W.:
352.44

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
78.67

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3733336

Name:
(+/-)-(1S,4R,9S)-5-Bromo-3,3-Dimethyl-9-(2-methyla
Show More⌵

Mol. Formula:
C22H26BrNS

M.W.:
416.43

14 activity values

7 unique targets

Type:
Small molecule

AlogP:
6.92

Polar Surface Area:
3.24

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4109345

Name:
US9428478, TG6-235

Mol. Formula:
C22H22FN3O4

M.W.:
411.43

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
74.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3971548

Name:
US9428478, TG6-181

Mol. Formula:
C22H25N3O4

M.W.:
395.46

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
67.03

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3969051

Name:
US9428478, TG6-239

Mol. Formula:
C23H23N3O4

M.W.:
405.45

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
82.97

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3966301

Name:
US9428478, TG6-179-2

Mol. Formula:
C21H23N3O3

M.W.:
365.43

Type:
Small molecule

AlogP:
3.15

Polar Surface Area:
57.80

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3964327

Name:
US9428478, TG6-222

Mol. Formula:
C22H23N3O4

M.W.:
393.44

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
74.87

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3962738

Name:
US9428478, TG6-199

Mol. Formula:
C20H21N3O3

M.W.:
351.41

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
68.80

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA3962276

Name:
US9428478, TG6-161

Mol. Formula:
C22H23N3O3

M.W.:
377.44

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
65.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3956175

Name:
US9428478, TG6-205-2

Mol. Formula:
C20H18F3N3O3

M.W.:
405.38

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
68.80

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3955086

Name:
US9428478, TG6-251-2

Mol. Formula:
C24H27N3O3

M.W.:
405.50

Type:
Small molecule

AlogP:
4.12

Polar Surface Area:
65.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3954604

Name:
US9428478, TG6-236

Mol. Formula:
C21H21N3O4

M.W.:
379.42

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
85.87

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3950545

Name:
US9428478, TG6-179-1

Mol. Formula:
C20H20FN3O2

M.W.:
353.40