Type:
Small molecule

AlogP:
8.80

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
93.63

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
83.80

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

Type:
Small molecule

AlogP:
-0.24

Polar Surface Area:
130.60

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.22

Type:
Small molecule

AlogP:
4.30

Polar Surface Area:
67.51

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.54

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
55.90

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.47

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
54.82

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

Type:
Small molecule

AlogP:
3.30

Polar Surface Area:
7.12

HBA:
1

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.61

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
26.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

Type:
Small molecule

AlogP:
4.85

Polar Surface Area:
29.10

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

Type:
Small molecule

AlogP:
0.42

Polar Surface Area:
207.30

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
77.51

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

Type:
Small molecule

AlogP:
-0.45

Polar Surface Area:
138.35

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.55

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
45.59

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.94

Type:
Small molecule

AlogP:
3.37

Polar Surface Area:
69.56

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

Type:
Small molecule

AlogP:
5.27

Polar Surface Area:
162.60

HBA:
11

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
42.43

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

Type:
Small molecule

AlogP:
6.34

Polar Surface Area:
24.72

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35