Type:
Small molecule

AlogP:
-8.42

Polar Surface Area:
331.94

HBA:
17

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.11

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
220.15

HBA:
15

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.19

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
113.77

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
58.56

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
90.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

Type:
Small molecule

AlogP:
5.08

Polar Surface Area:
59.81

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
58.22

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
80.48

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
112.05

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

Type:
Small molecule

AlogP:
5.10

Polar Surface Area:
12.47

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
84.12

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
55.49

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

Type:
Small molecule

AlogP:
4.54

Polar Surface Area:
72.70

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

Type:
Small molecule

AlogP:
3.43

Polar Surface Area:
119.71

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
72.70

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
22.27

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
44.70

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.89

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
31.92

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
48.65

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

Type:
Small molecule

AlogP:
5.20

Polar Surface Area:
48.65

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48