Compounds

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
102.37

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4649009

Name:
3-Phenyl-acrylic acid (1S,2R,5R,6R,7S,8R,10R)-10-(2-hydroxy-acetylamino)-1,Show More⌵

Mol. Formula:
C29H33NO5

M.W.:
475.59

Type:
Unknown

AlogP:
3.84

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4635380

Name:
3-Phenyl-acrylic acid (1S,2R,7S,8R,10R)-10-(2-hydroxy-acetoxy)-1,5-dimethylShow More⌵

Mol. Formula:
C28H35NO6

M.W.:
481.59

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
94.09

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4633559

Name:
3-Phenyl-acrylic acid (1S,2R,5R,6R,7S,8R,10R)-8-cyclohexyl-10-(2-hydroxy-acShow More⌵

Mol. Formula:
C29H39NO5

M.W.:
481.63

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
84.86

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2415058

Name:
2-(4-Morpholinyl)-1-methyl-4-(4-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-5-Show More⌵

Mol. Formula:
C16H15N5O4

M.W.:
341.33

9 activity values

9 unique targets

Type:
Small molecule

AlogP:
1.06

Polar Surface Area:
114.29

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2297189

Name:
(E)-3-[5-Amino-3-(4-chlorophenyl)-1H-pyrazol-1-yl]-6-[2-(furan-2-yl)ethenylShow More⌵

Mol. Formula:
C18H13ClN6O2

M.W.:
380.80

308 activity values

60 unique targets

Type:
Small molecule

AlogP:
3.02

Polar Surface Area:
115.62

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2296450

Name:
2-[1-(4-methoxyphenylamino)-4,5-dimethyl-1H-imidazol-2-ylthio]-N-(thiazol-2Show More⌵

Mol. Formula:
C17H19N5O2S2

M.W.:
389.51

60 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
81.07

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA2296448

Name:
N-[(4-(4-chlorophenyl)thiazol-2-yl)-2-(1-(4-methoxyphenylamino)-4,5-dimethyShow More⌵

Mol. Formula:
C23H22ClN5O2S2

M.W.:
500.05

238 activity values

60 unique targets

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
81.07

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA2047430

Name:
6-(3-Methoxyphenylamino)-9-methoxy-11H-indeno[1,2-c]quinolin-11-one

Mol. Formula:
C24H18N2O3

M.W.:
382.42

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
60.45

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2047429

Name:
6-(3-Chloro-4-fluorophenylamino)-9-methoxy-11H-indeno[1,2-c]quinolin-11-one

Mol. Formula:
C23H14ClFN2O2

M.W.:
404.83

Type:
Small molecule

AlogP:
5.99

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2047428

Name:
6-(3,4-Difluorophenylamino)-9-methoxy-11H-indeno[1,2-c]quinolin-11-one

Mol. Formula:
C23H14F2N2O2

M.W.:
388.37

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2047427

Name:
6-(2,4-Difluorophenylamino)-9-methoxy-11H-indeno[1,2-c]quinolin-11-one

Mol. Formula:
C23H14F2N2O2

M.W.:
388.37

Type:
Small molecule

AlogP:
5.48

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA2047426

Name:
6-(4-Chlorophenylamino)-9-methoxy-11H-indeno[1,2-c]quinolin-11-one

Mol. Formula:
C23H15ClN2O2

M.W.:
386.84

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
51.22

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA2047425

Name:
6-[3-(Dimethylamino)propylamino]-9-methoxy-11H-indeno[1,2-c]quinolin-11-one

Mol. Formula:
C22H23N3O2

M.W.:
361.45

79 activity values

58 unique targets

Type:
Small molecule

AlogP:
3.82

Polar Surface Area:
54.46

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2047424

Name:
6-[2-(dimethylamino)ethylamino]-9-methoxy-11H-indeno[1,2-c]quinolin-11-one

Mol. Formula:
C21H21N3O2

M.W.:
347.42