Compounds

ALA3596960

Name:
6-(2,4-Difluorophenyl)-3-(3-methoxyphenyl)-2H-benzo-[e][1,3]oxazine-2,4(3H)Show More⌵

Mol. Formula:
C21H13F2NO4

M.W.:
381.33

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.90

Polar Surface Area:
61.44

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3596959

Name:
6-(2,4-Difluorophenyl)-3-(3,4-dimethoxyphenyl)-2H-benzo[e][1,3]oxazine-2,4(Show More⌵

Mol. Formula:
C22H15F2NO5

M.W.:
411.36

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.91

Polar Surface Area:
70.67

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3596958

Name:
4-(6-(2,4-Difluorophenyl)-2,4-dioxo-2H-benzo[e][1,3]-oxazin-3(4H)-yl)benzonShow More⌵

Mol. Formula:
C21H10F2N2O3

M.W.:
376.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
76.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3596957

Name:
3-(6-(2,4-Difluorophenyl)-2,4-dioxo-2H-benzo[e][1,3]-oxazin-3(4H)-yl)benzonShow More⌵

Mol. Formula:
C21H10F2N2O3

M.W.:
376.32

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
76.00

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3596956

Name:
6-(2,4-Difluorophenyl)-3-(3-ethynylphenyl)-2H-benzo[e][1,3]oxazine-2,4(3H)-Show More⌵

Mol. Formula:
C22H11F2NO3

M.W.:
375.33

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
52.21

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA3596955

Name:
6-(2,4-Difluorophenyl)-3-(4-(trifluoromethyl)phenyl)-2H-benzo[e][1,3]oxazinShow More⌵

Mol. Formula:
C21H10F5NO3

M.W.:
419.31

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
52.21

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3596954

Name:
6-(2,4-Difluorophenyl)-3-(3-(trifluoromethyl)phenyl)-2H-benzo[e][1,3]oxazinShow More⌵

Mol. Formula:
C21H10F5NO3

M.W.:
419.31

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
52.21

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3596953

Name:
6-(2,4-Difluorophenyl)-3-(2-(trifluoromethyl)phenyl)-2H-benzo[e][1,3]oxazinShow More⌵

Mol. Formula:
C21H10F5NO3

M.W.:
419.31

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
52.21

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3596952

Name:
6-(2,4-Difluorophenyl)-3-(2,5-difluorophenyl)-2H-benzo[e][1,3]oxazine-2,4(3Show More⌵

Mol. Formula:
C20H9F4NO3

M.W.:
387.29

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
52.21

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3596205

Name:
6-(2,4-Difluorophenyl)-3-(3,4-difluorophenyl)-2H-benzo[e][1,3]oxazine-2,4(3Show More⌵

Mol. Formula:
C20H9F4NO3

M.W.:
387.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
52.21

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3596951

Name:
3,6-Bis(2,4-difluorophenyl)-2H-benzo[e][1,3]oxazine-2,4(3H)-dione

Mol. Formula:
C20H9F4NO3

M.W.:
387.29

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
52.21

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3596950

Name:
3-(4-Chloro-2-fluorophenyl)-6-(2,4-difluorophenyl)-2H-benzo[e][1,3]oxazine-Show More⌵

Mol. Formula:
C20H9ClF3NO3

M.W.:
403.74

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
52.21

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS