Compounds

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA141883

Name:
5-{5-[2,6-Dichloro-4-(4,5-dihydro-oxazol-2-yl)-phenoxy]-pent-3-ynyl}-3-methShow More⌵

Mol. Formula:
C18H16Cl2N2O3

M.W.:
379.24

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA142361

Name:
5-{5-[2,6-Dichloro-4-(4,5-dihydro-oxazol-2-yl)-phenoxy]-pent-3-enyl}-3-methShow More⌵

Mol. Formula:
C18H18Cl2N2O3

M.W.:
381.26

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
56.85

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA333818

Name:
1-(5-{3-[2,6-Dimethyl-4-(2-methyl-2H-tetrazol-5-yl)-phenoxy]-propyl}-isoxazShow More⌵

Mol. Formula:
C19H25N5O3

M.W.:
371.44

Type:
Small molecule

AlogP:
2.42

Polar Surface Area:
99.09

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA112734

Name:
3-(5-{3-[2,6-Dimethyl-4-(2-methyl-2H-tetrazol-5-yl)-phenoxy]-propyl}-isoxazShow More⌵

Mol. Formula:
C19H25N5O4

M.W.:
387.44

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
119.32

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA112784

Name:
5-(4-{3-[3-(2-Methoxy-ethyl)-isoxazol-5-yl]-propoxy}-3,5-dimethyl-phenyl)-2Show More⌵

Mol. Formula:
C19H25N5O3

M.W.:
371.44

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
88.09

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA112783

Name:
5-{4-[3-(3-Methoxy-isoxazol-5-yl)-propoxy]-3,5-dimethyl-phenyl}-2-methyl-2HShow More⌵

Mol. Formula:
C17H21N5O3

M.W.:
343.39

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
88.09

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA110255

Name:
5-{3,5-Dimethyl-4-[7-(3-methyl-isoxazol-5-yl)-heptyloxy]-phenyl}-2-methyl-2Show More⌵

Mol. Formula:
C21H29N5O2

M.W.:
383.50

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
78.86

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA110022

Name:
5-{3,5-Dimethyl-4-[3-(3-propyl-isoxazol-5-yl)-propoxy]-phenyl}-2-methyl-2H-Show More⌵

Mol. Formula:
C19H25N5O2

M.W.:
355.44

19 activity values

Type:
Small molecule

AlogP:
3.45

Polar Surface Area:
78.86

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA320956

Name:
5-{4-[3-(3-Butyl-isoxazol-5-yl)-propoxy]-3,5-dimethyl-phenyl}-2-methyl-2H-tShow More⌵

Mol. Formula:
C20H27N5O2

M.W.:
369.47

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
78.86

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA109519

Name:
5-{4-[3-(3-Ethoxy-isoxazol-5-yl)-propoxy]-3,5-dimethyl-phenyl}-2-methyl-2H-Show More⌵

Mol. Formula:
C18H23N5O3

M.W.:
357.41

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
88.09

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA109681

Name:
5-{5-[2,6-Dimethyl-4-(2-methyl-2H-tetrazol-5-yl)-phenoxy]-pentyl}-isoxazoleShow More⌵

Mol. Formula:
C19H23N5O4

M.W.:
385.42

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
116.16

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA113564

Name:
5-{3,5-Dimethyl-4-[2-(3-methyl-isoxazol-5-yl)-ethoxy]-phenyl}-2-methyl-2H-tShow More⌵

Mol. Formula:
C16H19N5O2

M.W.:
313.36

12 activity values

11 unique targets

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
78.86

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA108244

Name:
2-{2-[2-(5-{5-[2,6-Dimethyl-4-(2-methyl-2H-tetrazol-5-yl)-phenoxy]-pentyl}-Show More⌵

Mol. Formula:
C25H37N5O6

M.W.:
503.60

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
126.78

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA111714

Name:
5-{3,5-Dimethyl-4-[6-(3-methyl-isoxazol-5-yl)-hexyloxy]-phenyl}-2-methyl-2HShow More⌵

Mol. Formula:
C20H27N5O2

M.W.:
369.47

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
78.86

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA111730

Name:
1-(5-{3-[2,6-Dimethyl-4-(2-methyl-2H-tetrazol-5-yl)-phenoxy]-propyl}-isoxazShow More⌵

Mol. Formula:
C19H25N5O3

M.W.:
371.44

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
99.09

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA110259

Name:
2-Butyl-5-{3,5-dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-2H-tShow More⌵

Mol. Formula:
C20H27N5O2

M.W.:
369.47

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
78.86

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA324683

Name:
5-{4-[3-(3-Ethyl-isoxazol-5-yl)-propoxy]-3,5-dimethyl-phenyl}-2-methyl-2H-tShow More⌵

Mol. Formula:
C18H23N5O2

M.W.:
341.42