Compounds

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
118.77

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4174137

Name:
isobutyl 4-(2-hydroxy-5-nitrophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexaShow More⌵

Mol. Formula:
C23H28N2O6

M.W.:
428.49

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
118.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4171982

Name:
Isobutyl 2,7,7-trimethyl-4-(2-hydroxy-5-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexaShow More⌵

Mol. Formula:
C23H28N2O6

M.W.:
428.49

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
118.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4171441

Name:
ethyl 4-(2-hydroxy-5-nitrophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydShow More⌵

Mol. Formula:
C21H24N2O6

M.W.:
400.43

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
118.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4170087

Name:
Isobutyl 2,6,6-trimethyl-4-(3-bromo-2-hydroxy-5-nitrophenyl)-5-oxo-1,4,5,6,Show More⌵

Mol. Formula:
C23H27BrN2O6

M.W.:
507.38

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
118.77

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4164927

Name:
methyl 4-(2-hydroxy-5-nitrophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahyShow More⌵

Mol. Formula:
C20H22N2O6

M.W.:
386.40

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
118.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4163937

Name:
benzyl 4-(2-hydroxy-5-nitrophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahyShow More⌵

Mol. Formula:
C26H26N2O6

M.W.:
462.50

Type:
Small molecule

AlogP:
4.65

Polar Surface Area:
118.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4161799

Name:
Isobutyl 2,6,6-trimethyl-4-(5-bromo-2-hydroxy-3-nitrophenyl)-5-oxo-1,4,5,6,Show More⌵

Mol. Formula:
C23H27BrN2O6

M.W.:
507.38

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
118.77

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4160016

Name:
tert-butyl 4-(2-hydroxy-5-nitrophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-heShow More⌵

Mol. Formula:
C23H28N2O6

M.W.:
428.49

Type:
Small molecule

AlogP:
4.25

Polar Surface Area:
118.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4159492

Name:
Ethyl 2,6,6-trimethyl-4-(5-bromo-2-hydroxy-3-nitrophenyl)-5-oxo-1,4,5,6,7,8Show More⌵

Mol. Formula:
C21H23BrN2O6

M.W.:
479.33

Type:
Small molecule

AlogP:
4.23

Polar Surface Area:
118.77

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4104581

Name:
Ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3-[2-(2-{4-oxo-3-phenylthiazolidin-2Show More⌵

Mol. Formula:
C26H26N6O7S

M.W.:
566.60

Type:
Small molecule

AlogP:
3.06

Polar Surface Area:
163.55

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4103790

Name:
Ethyl 3-(2-cyanoethyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropShow More⌵

Mol. Formula:
C17H18N4O5

M.W.:
358.35

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
125.57

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4103388

Name:
Ethyl 3-[2-(propyn-3-yl-oxycarbonyl)ethyl]-6-methyl-4-(3-nitrophenyl)-2-oxoShow More⌵

Mol. Formula:
C20H21N3O7

M.W.:
415.40

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
128.08

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4103317

Name:
Ethyl 3-[2-{(2,2-diphenylethyl)aminocarbonyl}ethyl]-6-methyl-4-(3-nitrophenShow More⌵

Mol. Formula:
C31H32N4O6

M.W.:
556.62

Type:
Small molecule

AlogP:
4.84

Polar Surface Area:
130.88

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4098145

Name:
Ethyl 3-[2-(2-{1-(4-fluorophenyl)ethylidene}hydrazinylcarbonyl)ethyl]-6-metShow More⌵

Mol. Formula:
C25H26FN5O6

M.W.:
511.51

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
143.24

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4096855

Name:
Ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3-[2-(5-{phenylamino}-1,3,4-oxadiazoShow More⌵

Mol. Formula:
C24H24N6O6

M.W.:
492.49

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
152.73

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4095935

Name:
Ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3-[2-(2-{phenylcarbamothioyl}hydraziShow More⌵

Mol. Formula:
C24H26N6O6S

M.W.:
526.58

Type:
Small molecule

AlogP:
2.91

Polar Surface Area:
154.94

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4095637

Name:
Ethyl 3-[3-(2-(methoxyethoxy)carbonyl)ethyl]-6-methyl-4-(3-nitrophenyl)-2-oShow More⌵

Mol. Formula:
C20H25N3O8

M.W.:
435.43

Type:
Small molecule

AlogP:
2.08

Polar Surface Area:
137.31

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4094921

Name:
3-[5-(Ethoxycarbonyl)-4-methyl-6-(3-nitrophenyl)-2-oxo-2,3-dihydropyrimidinShow More⌵

Mol. Formula:
C17H19N3O7

M.W.:
377.35