Compounds

Type:
Small molecule

AlogP:
4.99

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3392935

Name:

Mol. Formula:
C12H21N

M.W.:
179.31

33 activity values

10 unique targets

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
26.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA3392934

Name:

Mol. Formula:
C10H13N3O5S

M.W.:
287.30

4 unique targets

Type:
Small molecule

AlogP:
2.09

Polar Surface Area:
115.14

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3392933

Name:

Mol. Formula:
C24H28F3N3O3

M.W.:
463.50

Type:
Small molecule

AlogP:
5.91

Polar Surface Area:
78.63

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3392932

Name:

Mol. Formula:
C18H34N2O6S

M.W.:
406.55

Type:
Small molecule

AlogP:
-0.86

Polar Surface Area:
122.49

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3392931

Name:

Mol. Formula:
C37H67NO13

M.W.:
733.94

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
193.91

HBA:
14

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3392929

Name:

Mol. Formula:
C46H62N4O11

M.W.:
847.02

8 activity values

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
205.55

HBA:
14

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3392928

Name:

Mol. Formula:
C43H51N3O11

M.W.:
785.89

Type:
Small molecule

AlogP:
6.16

Polar Surface Area:
198.38

HBA:
13

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3392927

Name:

Mol. Formula:
C43H58N4O12

M.W.:
822.95

8 activity values

Type:
Small molecule

AlogP:
4.34

Polar Surface Area:
220.15

HBA:
15

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3145327

Name:
DNDI1417065

Mol. Formula:
C15H18N4O

M.W.:
270.34

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
66.47

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3145326

Name:
DNDI1417900

Mol. Formula:
C18H18ClN3O3S

M.W.:
391.88

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.66

Polar Surface Area:
76.98

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3137483

Name:

Mol. Formula:
C25H23F6N3

M.W.:
479.47

15 activity values

Type:
Small molecule

AlogP:
7.01

Polar Surface Area:
19.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3137482

Name:

Mol. Formula:
C21H25F4N3

M.W.:
395.44

12 activity values

Type:
Small molecule

AlogP:
5.45

Polar Surface Area:
19.37

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3137481

Name:

Mol. Formula:
C22H28F3N3O

M.W.:
407.48

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
39.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3137480

Name:

Mol. Formula:
C22H19F6N5

M.W.:
467.42

16 activity values

Type:
Small molecule

AlogP:
5.72

Polar Surface Area:
45.15

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3137479

Name:

Mol. Formula:
C23H20F6N4

M.W.:
466.43

Type:
Small molecule

AlogP:
6.32

Polar Surface Area:
32.26

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3137478

Name:

Mol. Formula:
C25H20F3N5

M.W.:
447.46

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.65

Polar Surface Area:
66.95

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3137477

Name:

Mol. Formula:
C22H28F3N3O

M.W.:
407.48

Type:
Small molecule

AlogP:
4.86

Polar Surface Area:
39.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3137476

Name:

Mol. Formula:
C21H26N4O

M.W.:
350.47

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
63.39

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA3137475

Name:

Mol. Formula:
C24H26F3N5

M.W.:
441.50