Compounds

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
91.39

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA3959257

Name:
N-((3-isopropylisoxazol-5-yl)methyl)-3-(1-methylpiperidin-4-yloxy)benzamide

Mol. Formula:
C20H27N3O3

M.W.:
357.45

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
67.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA3923550

Name:
N-((3-isopropylisoxazol-5-yl)methyl)-3-(1-isopropylpiperidin-4-yloxy)benzamShow More⌵

Mol. Formula:
C22H31N3O3

M.W.:
385.51

Type:
Small molecule

AlogP:
3.98

Polar Surface Area:
67.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3905894

Name:
N-((3-isopropylisoxazol-5-yl)methyl)-3-(1-methylpiperidin-4-yloxy)-4-(triflShow More⌵

Mol. Formula:
C21H26F3N3O3

M.W.:
425.45

Type:
Small molecule

AlogP:
4.22

Polar Surface Area:
67.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3899143

Name:
4-fluoro-N-((3-isopropylisoxazol-5-yl)methyl)-3-(1-methylpiperidin-4-yloxy)Show More⌵

Mol. Formula:
C20H26FN3O3

M.W.:
375.44

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
67.60

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3401758

Name:
3-isobutoxy-N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxybenzamide

Mol. Formula:
C19H26N2O4

M.W.:
346.43

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
73.59

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3304438

Name:
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-(1-methylpiperidin-4-yloxyShow More⌵

Mol. Formula:
C21H29N3O4

M.W.:
387.48

31 activity values

11 unique targets

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
76.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3304288

Name:
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-(piperidin-4-yloxy)benzamiShow More⌵

Mol. Formula:
C20H27N3O4

M.W.:
373.45

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
85.62

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3303803

Name:
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-(2-morpholinoethoxy)benzamShow More⌵

Mol. Formula:
C21H29N3O5

M.W.:
403.48

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
86.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3303792

Name:
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-(2-(piperidin-1-yl)ethoxy)Show More⌵

Mol. Formula:
C22H31N3O4

M.W.:
401.51

14 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
76.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3303292

Name:
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-(1-methylpiperidin-3-yloxyShow More⌵

Mol. Formula:
C21H29N3O4

M.W.:
387.48

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
76.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3301821

Name:
3-(1-(dimethylamino)propan-2-yloxy)-N-((3-isopropylisoxazol-5-yl)methyl)-4-Show More⌵

Mol. Formula:
C20H29N3O4

M.W.:
375.47

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
76.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3301712

Name:
N-((3-isopropylisoxazol-5-yl)methyl)-4-methoxy-3-(2-(pyrrolidin-1-yl)ethoxyShow More⌵

Mol. Formula:
C21H29N3O4

M.W.:
387.48

Type:
Small molecule

AlogP:
3.21

Polar Surface Area:
76.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3211787

Name:
SID26729481

Mol. Formula:
C11H14N4

M.W.:
202.26

4 unique targets

Type:
Small molecule

AlogP:
0.96

Polar Surface Area:
48.78

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3189094

Name:
SID160644144

Mol. Formula:
C22H28F3N3O7

M.W.:
503.47

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
86.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3188742

Name:
SID160844209

Mol. Formula:
C22H32N4O3

M.W.:
400.52

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
68.62

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3188740

Name:
SID160644124

Mol. Formula:
C21H28N2O4

M.W.:
372.47

5 activity values

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
73.59

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3188722

Name:
SID160644131

Mol. Formula:
C22H30F3N3O6

M.W.:
489.49

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
76.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3188698

Name:
SID160844202

Mol. Formula:
C25H36N2O3

M.W.:
412.57