Type:
Small molecule

AlogP:
3.96

Polar Surface Area:
104.79

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

Type:
Small molecule

AlogP:
4.91

Polar Surface Area:
79.29

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

Type:
Small molecule

AlogP:
5.69

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
112.91

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

Type:
Small molecule

AlogP:
6.32

Polar Surface Area:
102.76

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
77.84

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

Type:
Small molecule

AlogP:
4.04

Polar Surface Area:
85.16

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
112.57

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
112.23

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

Type:
Small molecule

AlogP:
5.09

Polar Surface Area:
92.87

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
96.80

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

Type:
Small molecule

AlogP:
1.67

Polar Surface Area:
163.84

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

Type:
Small molecule

AlogP:
5.75

Polar Surface Area:
55.82

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

Type:
Small molecule

AlogP:
5.17

Polar Surface Area:
66.40

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

Type:
Small molecule

AlogP:
3.65

Polar Surface Area:
133.02

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
136.36

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
67.79

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
145.77

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

Type:
Small molecule

AlogP:
3.95

Polar Surface Area:
105.17

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

Type:
Small molecule

AlogP:
5.40

Polar Surface Area:
92.34

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38