Compounds

Type:
Unknown

AlogP:
3.93

Polar Surface Area:
93.54

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4879282

Name:
(S)-2-(4-fluoro-1H-indole-2-carboxamido)-3-(4-methoxyphenyl)propanoic acid

Mol. Formula:
C19H17FN2O4

M.W.:
356.35

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
91.42

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4877313

Name:
(S)-2-(4-fluoro-1H-indole-2-carboxamido)-3-(4-hydroxy-3-iodophenyl)propanoiShow More⌵

Mol. Formula:
C18H14FIN2O4

M.W.:
468.22

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
102.42

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4876740

Name:
(S)-2-(4-fluoro-1H-indole-2-carboxamido)-3-(4-hydroxyphenyl)propanoic acid

Mol. Formula:
C18H15FN2O4

M.W.:
342.33

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
102.42

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4875916

Name:
(S)-2-(4-fluoro-1H-indole-2-carboxamido)-3-(naphthalen-2-yl)propanoic acid

Mol. Formula:
C22H17FN2O3

M.W.:
376.39

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
82.19

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4874500

Name:
(S)-2-(4-fluoro-1H-indole-2-carboxamido)-3-(3-iodophenyl)propanoic acid

Mol. Formula:
C18H14FIN2O3

M.W.:
452.22

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
82.19

HBA:
2

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4874097

Name:
N-(5-(5-(5,5-Dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyridiShow More⌵

Mol. Formula:
C24H19F2N3O3

M.W.:
435.43

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
80.65

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4873867

Name:
(S)-3-(3-chloro-4-hydroxyphenyl)-2-(4-fluoro-1H-indole-2-carboxamido)propanShow More⌵

Mol. Formula:
C18H14ClFN2O4

M.W.:
376.77

Type:
Unknown

AlogP:
3.09

Polar Surface Area:
102.42

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4872968

Name:
N-(5-(4-(5,5-Dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyraziShow More⌵

Mol. Formula:
C23H18F2N4O3

M.W.:
436.42

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
93.54

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4872805

Name:
2,6-Difluoro-N-(2'-methyl-5'-5-oxo-4,5-dihydro-1,3,4-oxadlazol-2-yl)-[1,1'-Show More⌵

Mol. Formula:
C22H15F2N3O3

M.W.:
407.38

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
87.99

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4872601

Name:
(S)-2-(4-fluoro-1H-indole-2-carboxamido)-3-(3-fluoro-4-hydroxyphenyl)propanShow More⌵

Mol. Formula:
C18H14F2N2O4

M.W.:
360.32

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
102.42

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4872086

Name:
N-(5'-(4-Ethyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2'-methyl-[1,1'-biphShow More⌵

Mol. Formula:
C24H19F2N3O3

M.W.:
435.43

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
77.13

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4871844

Name:
N-(5-(5-(5,5-Dimethyl-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazin-2-ylShow More⌵

Mol. Formula:
C23H20F2N4O2

M.W.:
422.44

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
76.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4871406

Name:
(R)-2-((R)-2-(4-fluoro-1H-indole-2-carboxamido)-3-(4-hydroxy-3-iodophenyl)pShow More⌵

Mol. Formula:
C24H26FIN6O5

M.W.:
624.41

3 activity values

3 unique targets

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
193.42

HBA:
5

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4870525

Name:
(S)-2-(4-fluoro-1H-indole-3-carboxamido)-3-(4-hydroxy-3-iodophenyl)propanoiShow More⌵

Mol. Formula:
C18H14FIN2O4

M.W.:
468.22

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
102.42

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4870286

Name:
N-(5-(2-(tert-Butyl)-5-(5,5-dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)phenyl)Show More⌵

Mol. Formula:
C26H24F2N4O3

M.W.:
478.50

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
93.54

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4870031

Name:
(S)-2-(7-fluoro-1H-indole-2-carboxamido)-3-(4-hydroxy-3-iodophenyl)propanoiShow More⌵

Mol. Formula:
C18H14FIN2O4

M.W.:
468.22

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
102.42

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4869829

Name:
(S)-3-(4-hydroxy-3-iodophenyl)-2-(1H-indole-2-carboxamido)propanoic acid

Mol. Formula:
C18H15IN2O4

M.W.:
450.23

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
102.42

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4868782

Name:
N-(5-(5-(5,5-Dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyraziShow More⌵

Mol. Formula:
C23H18F2N4O3

M.W.:
436.42

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
93.54

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4868543

Name:
N-(5-(5-(5,5-Dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyraziShow More⌵

Mol. Formula:
C22H17F2N5O3

M.W.:
437.41