Compounds

Type:
Small molecule

AlogP:
5.11

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1915675

Name:
{3-[(2,6-Dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methShow More⌵

Mol. Formula:
C28H30N2O5

M.W.:
474.56

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1915674

Name:
{3-[(2,5-Dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methShow More⌵

Mol. Formula:
C28H30N2O5

M.W.:
474.56

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1915673

Name:
{3-[(2,3-Dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methShow More⌵

Mol. Formula:
C28H30N2O5

M.W.:
474.56

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1915672

Name:
{3-[(2,6-Dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methShow More⌵

Mol. Formula:
C27H28N2O5

M.W.:
460.53

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1915671

Name:
{3-[(2,5-Dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methShow More⌵

Mol. Formula:
C27H28N2O5

M.W.:
460.53

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1915670

Name:
{3-[(2,3-Dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methShow More⌵

Mol. Formula:
C27H28N2O5

M.W.:
460.53

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1915669

Name:
[1-(4-{[(2S)-4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzoyl)-1Show More⌵

Mol. Formula:
C27H24N2O5

M.W.:
456.50

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
81.00

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1819625

Name:
{5-[(2-Chloro-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}Show More⌵

Mol. Formula:
C26H25ClN2O6

M.W.:
496.95

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
97.33

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1819624

Name:
{5-[(2-Chloro-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}Show More⌵

Mol. Formula:
C25H22ClFN2O5

M.W.:
484.91

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA1819621

Name:
{5-[(2-Chloro-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}Show More⌵

Mol. Formula:
C26H25ClN2O5

M.W.:
480.95

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1819620

Name:
{3-[(2-Chloro-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}Show More⌵

Mol. Formula:
C26H25ClN2O5

M.W.:
480.95

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1819619

Name:
{3-[(2-Chloro-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}Show More⌵

Mol. Formula:
C26H25ClN2O5

M.W.:
480.95

5 activity values

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1819618

Name:
{2-Methoxy-5-[(2-methyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yShow More⌵

Mol. Formula:
C27H28N2O6

M.W.:
476.53

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
97.33

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1819617

Name:
{2-Fluoro-5-[(2-methyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylShow More⌵

Mol. Formula:
C26H25FN2O5

M.W.:
464.49

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1819616

Name:
{3-Fluoro-5-[(2-methyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylShow More⌵

Mol. Formula:
C26H25FN2O5

M.W.:
464.49

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1819615

Name:
{4-Fluoro-3-[(2-methyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylShow More⌵

Mol. Formula:
C26H25FN2O5

M.W.:
464.49

5 activity values

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1819614

Name:
{4-Chloro-3-[(2-methyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylShow More⌵

Mol. Formula:
C26H25ClN2O5

M.W.:
480.95

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.80

Polar Surface Area:
88.10

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1819613

Name:
{2-Methyl-5-[(2-methyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ylShow More⌵

Mol. Formula:
C27H28N2O5

M.W.:
460.53