Type:
Small molecule

AlogP:
-0.85

Polar Surface Area:
377.97

HBA:
21

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.05

Type:
Small molecule

AlogP:
5.18

Polar Surface Area:
33.42

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
33.42

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
42.21

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

Type:
Small molecule

AlogP:
3.81

Polar Surface Area:
42.21

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
42.21

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

Type:
Small molecule

AlogP:
4.11

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
59.72

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
59.72

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

Type:
Small molecule

AlogP:
3.48

Polar Surface Area:
93.63

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
50.49

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41