Compounds

Type:
---

AlogP:
1.63

Polar Surface Area:
141.67

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5200868

Name:
N-[(3-{[N-(Quinolin-3-ylcarbonyl)glycyl]amino}phenyl)sulfonyl]glycine

Mol. Formula:
C20H18N4O6S

M.W.:
442.45

Type:
---

AlogP:
0.97

Polar Surface Area:
154.56

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5188735

Name:
N-[(3-{[N-(4-Ethylbenzoyl)glycyl]amino}phenyl)sulfonyl]glycine

Mol. Formula:
C19H21N3O6S

M.W.:
419.46

Type:
---

AlogP:
0.98

Polar Surface Area:
141.67

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5186532

Name:
N-(2-oxo-2-(3-(piperidin-1-ylsulfonyl)phenylamino)ethyl)-1H-indole-5-carboxShow More⌵

Mol. Formula:
C22H24N4O4S

M.W.:
440.53

Type:
---

AlogP:
2.71

Polar Surface Area:
111.37

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5182422

Name:
N-{[3-({N-[4-(Methylamino)benzoyl]glycyl}amino)phenyl]sulfonyl}glycine

Mol. Formula:
C18H20N4O6S

M.W.:
420.45

Type:
---

AlogP:
0.46

Polar Surface Area:
153.70

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5182052

Name:
N-{[3-({N-[(Benzyloxy)carbonyl]glycyl}amino)phenyl]sulfonyl}glycine

Mol. Formula:
C18H19N3O7S

M.W.:
421.43

Type:
---

AlogP:
0.91

Polar Surface Area:
150.90

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5174163

Name:
N-(2-(2-chloro-5-(N-(4-chlorophenyl)sulfamoyl)phenylamino)-2-oxoethyl)-5-meShow More⌵

Mol. Formula:
C20H17Cl2N3O4S2

M.W.:
498.41

16 activity values

5 unique targets

Type:
---

AlogP:
4.53

Polar Surface Area:
104.37

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5171557

Name:
N-(5-(N,N-diethylsulfamoyl)-2-methoxyphenyl)-4-oxo-3-propyl-3,4-dihydrophthShow More⌵

Mol. Formula:
C23H28N4O5S

M.W.:
472.57

1 unique targets

Type:
---

AlogP:
3.10

Polar Surface Area:
110.60

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5169982

Name:
N-[(3-{[N-(3-Thienylacetyl)glycyl]amino}phenyl)sulfonyl]glycine

Mol. Formula:
C16H17N3O6S2

M.W.:
411.46

Type:
---

AlogP:
0.41

Polar Surface Area:
141.67

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4102903

Name:
3-(pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridine

Mol. Formula:
C12H9N3

M.W.:
195.22

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

ALA4098505

Name:
3-(2-fluoropyridin-4-yl)-1H-pyrrolo[2,3-c]pyridine

Mol. Formula:
C12H8FN3

M.W.:
213.22

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.63

DETAILS

ALA4098364

Name:
4-(6-methoxy-1H-indol-3-yl)pyridin-2-amine

Mol. Formula:
C14H13N3O

M.W.:
239.28

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
63.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4094549

Name:
4-(7-nitro-1H-indol-3-yl)pyridin-2-amine

Mol. Formula:
C13H10N4O2

M.W.:
254.25

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
97.84

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4087456

Name:
4-(6-(trifluoromethyl)-1H-indol-3-yl)pyrimidin-2-amine

Mol. Formula:
C13H9F3N4

M.W.:
278.24

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
67.59

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4086818

Name:
4-(7-chloro-1H-indol-3-yl)pyridin-2-amine

Mol. Formula:
C13H10ClN3

M.W.:
243.70

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
54.70

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4084955

Name:
3-(4-pyridyl)-6-azaindole

Mol. Formula:
C12H9N3

M.W.:
195.22

306 activity values

205 unique targets

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
41.57

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

ALA4069088

Name:
4-(6-chloro-1H-indol-3-yl)pyridin-2-amine

Mol. Formula:
C13H10ClN3

M.W.:
243.70

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
54.70

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4068096

Name:
4-(7-methoxy-1H-indol-3-yl)pyridin-2-amine

Mol. Formula:
C14H13N3O

M.W.:
239.28

Type:
Small molecule

AlogP:
2.82

Polar Surface Area:
63.93

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4066607

Name:
4-(1H-pyrrolo[2,3-c]pyridin-3-yl)quinoline

Mol. Formula:
C16H11N3

M.W.:
245.29