Compounds

ALA4115745

Name:
CHEMBL1956269::US9238653, Table 5, Compound 51

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4115744

Name:
CHEMBL1956279::US9238653, Table 5, Compound 53

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4115743

Name:
CHEMBL1956285::US9238653, Table 5, Compound 10

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4115740

Name:
CHEMBL1956289::US9238653, Table 5, Compound 52

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4115739

Name:
CHEMBL1956291::US9238653, Table 5, Compound 29

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4115738

Name:
US9238653, Table 5, Compound 44

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4115737

Name:
CHEMBL1956265::US9238653, Table 5, Compound 50

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4115730

Name:
CHEMBL1784567::N-(4-Pentafluorosulfenylphenyl)-5-m
Show More⌵

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4115729

Name:
US9238653, Table 5, Compound 35

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4115728

Name:
US9238653, Table 5, Compound 19

Mol. Formula:

M.W.:

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3689094

Name:
US9238653, Table 5, Compound 41

Mol. Formula:
C17H16F3N5

M.W.:
347.34

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3689093

Name:
US9238653, Table 5, Compound 36

Mol. Formula:
C13H8ClF4N5

M.W.:
345.69

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3689091

Name:
US9238653, Table 5, Compound 31

Mol. Formula:
C15H14BrN5

M.W.:
344.22

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.51

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3689090

Name:
US9238653, Table 5, Compound 30

Cas Number:
900296-94-8

Mol. Formula:
C13H9F4N5

M.W.:
311.24

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.33

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3689089

Name:
US9238653, Table 5, Compound 27

Mol. Formula:
C17H19N5O2

M.W.:
325.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.00

Polar Surface Area:
95.57

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3689088

Name:
US9238653, Table 5, Compound 24

Mol. Formula:
C15H13F2N5

M.W.:
301.30

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA3689087

Name:
US9238653, Table 5, Compound 21

Mol. Formula:
C16H16N4

M.W.:
264.33

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
42.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3689085

Name:
US9238653, Table 5, Compound 18

Mol. Formula:
C14H10F4N4

M.W.:
310.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.94

Polar Surface Area:
42.22

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3689084

Name:
US9238653, Table 5, Compound 17

Mol. Formula:
C15H13Cl2N5

M.W.:
334.21

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.32

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3689083

Name:
US9238653, Table 5, Compound 15

Mol. Formula:
C17H16F3N5

M.W.:
347.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.07

Polar Surface Area:
55.11

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS