Compounds

ALA4514751

Name:
C10322546

Mol. Formula:
C11H15F3N4O2

M.W.:
292.26

6 activity values

3 unique targets

Type:
Unknown

AlogP:
0.82

Polar Surface Area:
81.34

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4514744

Name:
C10317202

Mol. Formula:
C11H15BrN2O

M.W.:
271.16

6 activity values

3 unique targets

Type:
Unknown

AlogP:
1.67

Polar Surface Area:
41.13

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4514741

Name:
C10316382

Mol. Formula:
C13H16ClN5

M.W.:
277.76

6 activity values

3 unique targets

Type:
Unknown

AlogP:
1.73

Polar Surface Area:
46.84

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4514731

Name:
C10320341

Cas Number:
192811-37-3

Mol. Formula:
C8H17NO

M.W.:
143.23

6 activity values

3 unique targets

Type:
Unknown

AlogP:
1.17

Polar Surface Area:
21.26

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA4514722

Name:
C10326706

Mol. Formula:
C10H14F3N3O2S2

M.W.:
329.37

6 activity values

3 unique targets

Type:
Unknown

AlogP:
1.20

Polar Surface Area:
53.51

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4514720

Name:
C10328578

Mol. Formula:
C13H12N4OS

M.W.:
272.33

8 activity values

3 unique targets

Type:
Unknown

AlogP:
1.99

Polar Surface Area:
77.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4514716

Name:
C10328999

Cas Number:
1218569-50-6

Mol. Formula:
C8H16N2O2

M.W.:
172.23

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.42

Polar Surface Area:
55.56

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.62

DETAILS

ALA4514714

Name:
C10320134

Mol. Formula:
C13H19N5O2

M.W.:
277.33

6 activity values

3 unique targets

Type:
Unknown

AlogP:
1.07

Polar Surface Area:
83.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4514712

Name:
C10325291

Cas Number:
1217819-81-2

Mol. Formula:
C10H23N3O

M.W.:
201.31

6 activity values

3 unique targets

Type:
Unknown

AlogP:
0.04

Polar Surface Area:
58.36

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4514711

Name:
C10320170

Mol. Formula:
C13H20N2O2S

M.W.:
268.38

6 activity values

3 unique targets

Type:
Unknown

AlogP:
1.46

Polar Surface Area:
53.43

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4514709

Name:
C10323186

Mol. Formula:
C9H15N3OS

M.W.:
213.31

6 activity values

3 unique targets

Type:
Unknown

AlogP:
1.66

Polar Surface Area:
57.78

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4514698

Name:
C10320299

Mol. Formula:
C12H16N2O4

M.W.:
252.27

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.03

Polar Surface Area:
80.68

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4514692

Name:
C10314057

Mol. Formula:
C13H26N2O4

M.W.:
274.36

6 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.13

Polar Surface Area:
60.03

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4514688

Name:
C10323357

Mol. Formula:
C13H21N3O3S

M.W.:
299.40

6 activity values

3 unique targets

Type:
Unknown

AlogP:
0.41

Polar Surface Area:
75.87

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4514684

Name:
C10318691

Mol. Formula:
C11H17N3O2

M.W.:
223.28

6 activity values

3 unique targets

Type:
Unknown

AlogP:
0.70

Polar Surface Area:
56.15

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4514679

Name:
C10320660

Mol. Formula:
C15H20N2O2

M.W.:
260.34

7 activity values

3 unique targets

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
58.20

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4514673

Name:
C10316897

Mol. Formula:
C11H13N3O

M.W.:
203.25

6 activity values

3 unique targets

Type:
Unknown

AlogP:
0.48

Polar Surface Area:
70.12

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4514666

Name:
C10325140

Mol. Formula:
C14H17N3O3

M.W.:
275.31

6 activity values

3 unique targets

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
67.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4514665

Name:
C10314958

Cas Number:
149944-36-5

Mol. Formula:
C9H13NO3S

M.W.:
215.27

6 activity values

3 unique targets

Type:
Unknown

AlogP:
0.10

Polar Surface Area:
66.40

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4514660

Name:
C10324402

Mol. Formula:
C9H17NO2

M.W.:
171.24

6 activity values

3 unique targets

Type:
Unknown

AlogP:
0.94

Polar Surface Area:
38.33

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS