Compounds

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

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

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

ALA4869725

Name:
2-Chloro-6-fluoro-N-(2'-methyl-3'-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazShow More⌵

Mol. Formula:
C23H17ClFN3O3

M.W.:
437.86

51 activity values

14 unique targets

Type:
Unknown

AlogP:
5.06

Polar Surface Area:
77.13

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

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

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
106.43

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4868517

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

Mol. Formula:
C23H18F2N4O4

M.W.:
452.42

Type:
Unknown

AlogP:
3.76

Polar Surface Area:
102.77

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4868367

Name:
N-(5-(5-(5,5-Dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)2-ethylphenyl)pyrazin-Show More⌵

Mol. Formula:
C24H20F2N4O3

M.W.:
450.45

Type:
Unknown

AlogP:
4.32

Polar Surface Area:
93.54

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4868242

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

Mol. Formula:
C23H17F2N3O3

M.W.:
421.40

130 activity values

17 unique targets

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
77.13

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4866759

Name:
(S)-2-(5-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

ALA4866037

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

Mol. Formula:
C18H14FIN2O4

M.W.:
468.22