Compounds

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
81.43

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1736753

Name:
SID56373798

Mol. Formula:
C25H20N2O6

M.W.:
444.44

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
107.73

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA1736103

Name:
SID87349809

Mol. Formula:
C26H24N2O2

M.W.:
396.49

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
46.34

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA1735822

Name:
SID56373801

Mol. Formula:
C26H24N2O6

M.W.:
460.49

Type:
Small molecule

AlogP:
4.03

Polar Surface Area:
99.89

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA1733814

Name:
SID87544754

Mol. Formula:
C16H14ClNO3

M.W.:
303.75

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1732080

Name:
SID87692457

Mol. Formula:
C20H20N2O3

M.W.:
336.39

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
66.57

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA1732031

Name:
SID56373846

Mol. Formula:
C25H22N2O6

M.W.:
446.46

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
99.89

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA1732001

Name:
SID87544769

Mol. Formula:
C17H17NO3

M.W.:
283.33

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA1731723

Name:
SID87692452

Mol. Formula:
C23H18N2O2

M.W.:
354.41

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
55.13

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1731605

Name:
SID56373836

Mol. Formula:
C23H17ClN2O4

M.W.:
420.85

8 activity values

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
81.43

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA1731392

Name:
SID57287549

Mol. Formula:
C25H22N2O5

M.W.:
430.46

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
90.66

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA1730918

Name:
SID87692450

Mol. Formula:
C25H22N2O2

M.W.:
382.46

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
46.34

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1730657

Name:
SID87692454

Mol. Formula:
C20H20F3N3O4

M.W.:
423.39

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
58.37

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA1730170

Name:
SID87692467

Mol. Formula:
C24H20N2O2

M.W.:
368.44

Type:
Small molecule

AlogP:
4.78

Polar Surface Area:
55.13

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1729929

Name:
SID87349808

Mol. Formula:
C25H22N2O2

M.W.:
382.46

Type:
Small molecule

AlogP:
5.51

Polar Surface Area:
46.34

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA1729903

Name:
SID87544755

Mol. Formula:
C18H17NO4

M.W.:
311.34

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA1729796

Name:
SID87692449

Mol. Formula:
C23H20N2O2

M.W.:
356.43

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
46.34

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA1729496

Name:
SID87692462

Mol. Formula:
C25H26F3N3O5

M.W.:
505.49

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
58.81

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA1729181

Name:
SID87544753

Mol. Formula:
C16H14FNO3

M.W.:
287.29

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA1729177

Name:
SID87692460

Mol. Formula:
C23H24F3N3O4

M.W.:
463.46