Compounds

ALA5272660

Name:
1-acetyl-2-(4-(benzyloxy)benzylidene)indolin-3-one

Mol. Formula:
C24H19NO3

M.W.:
369.42

Type:
---

AlogP:
4.86

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5272652

Name:
Denigrin B

Mol. Formula:
C31H25NO5

M.W.:
491.54

Type:
---

AlogP:
5.55

Polar Surface Area:
101.23

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5272617

Name:
2-((2-morpholinoethyl)amino)-N-(4-(5-(trifluoromethyl)phenyl)pyridin-2-yl)tShow More⌵

Mol. Formula:
C24H22F3N5O2S2

M.W.:
533.60

Type:
---

AlogP:
5.44

Polar Surface Area:
79.38

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5272613

Name:
N-(3,5-Dimethylphenyl)-2-((2-methyl-6-(trifluoromethyl)-quinolin-4-yl)oxy)aShow More⌵

Mol. Formula:
C21H19F3N2O2

M.W.:
388.39

Type:
---

AlogP:
5.20

Polar Surface Area:
51.22

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5272602

Name:
(R)-N-(2-amino-3-phenylpropyl)-2-(4-methoxyphenyl)benzo[d]oxazole-5-carboxaShow More⌵

Mol. Formula:
C24H23N3O3

M.W.:
401.47

Type:
---

AlogP:
3.80

Polar Surface Area:
90.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5272576

Name:
4,4,4-trifluoro-1-(4-fluoro-4-(pyridin-2-yl)piperidin-1-yl)butan-1-one

Mol. Formula:
C15H15F7N2O

M.W.:
372.28

Type:
---

AlogP:
4.23

Polar Surface Area:
33.20

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5272571

Name:
N-(1,3-dihydroxypropan-2-yl)-4-(2-(4-fluorobenzyl)-2H-tetrazol-5-yl)benzeneShow More⌵

Mol. Formula:
C17H18FN5O4S

M.W.:
407.43

Type:
---

AlogP:
0.16

Polar Surface Area:
130.23

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5272504

Name:
(R)-N-(2-hydroxypropyl)-4-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)benzenesulfShow More⌵

Mol. Formula:
C18H21N5O4S

M.W.:
403.46

Type:
---

AlogP:
1.06

Polar Surface Area:
119.23

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5272461

Name:
N-(cyanomethyl)-4-(2-(pyridin-4-ylmethyl)-2H-tetrazol-5-yl)benzenesulfonamiShow More⌵

Mol. Formula:
C15H13N7O2S

M.W.:
355.38

Type:
---

AlogP:
0.59

Polar Surface Area:
126.45

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5272420

Name:
1-acetyl-2-(4-(4-chlorophenoxy)benzylidene)indolin-3-one

Mol. Formula:
C23H16ClNO3

M.W.:
389.84

Type:
---

AlogP:
5.72

Polar Surface Area:
46.61

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5272381

Name:
N-(2-hydroxyethyl)-2-methoxy-4-(2-(pyridin-4-ylmethyl)-2H-tetrazol-5-yl)benShow More⌵

Mol. Formula:
C16H18N6O4S

M.W.:
390.43

Type:
---

AlogP:
0.06

Polar Surface Area:
132.12

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5272379

Name:
2,2,2-trifluoroethyl (S)-2-(pyrrolidine-2-carboxamido)thiophene-3-carboxylaShow More⌵

Mol. Formula:
C12H13F3N2O3S

M.W.:
322.31

Type:
---

AlogP:
2.16

Polar Surface Area:
67.43

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5272369

Name:
1-(3-(2-(2-Methoxyphenyl)benzo[d]oxazol-5-yl)-5-(thiophen-2-yl)-4,5-dihydroShow More⌵

Mol. Formula:
C23H19N3O3S

M.W.:
417.49

Type:
---

AlogP:
5.26

Polar Surface Area:
67.93

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5272366

Name:
(S)-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-nitro-6-(trifluoromeShow More⌵

Mol. Formula:
C17H16F3N3O4S2

M.W.:
447.46

Type:
---

AlogP:
4.68

Polar Surface Area:
77.73

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5272334

Name:
(R)-2-amino-N-(2-(4-methoxybenzyl)benzo[d]oxazol-5-yl)-3-phenylpropanamide

Mol. Formula:
C24H23N3O3

M.W.:
401.47

Type:
---

AlogP:
3.94

Polar Surface Area:
90.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5272330

Name:
N-(3,5-Difluorophenyl)-2-((6-methoxy-2-methylquinolin-4-yl)-oxy)acetamide

Mol. Formula:
C19H16F2N2O3

M.W.:
358.34

Type:
---

AlogP:
3.85

Polar Surface Area:
60.45

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5272309

Name:
N-(4-{4-[bis(5-bromo-1H-indol-3-yl)methyl]-2,3-dihydro-1H-1,2,3-triazol-1-yShow More⌵

Mol. Formula:
C27H22Br2N6O

M.W.:
606.32

Type:
---

AlogP:
6.64

Polar Surface Area:
87.98

HBA:
4

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5272306

Name:
1-(3-(2-(Pyridin-2-yl)benzo[d]oxazol-5-yl)-5-(thiophen-2-yl)-4,5-dihydro-1HShow More⌵

Mol. Formula:
C21H16N4O2S

M.W.:
388.45

Type:
---

AlogP:
4.65

Polar Surface Area:
71.59

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5272195

Name:
(R)-2-amino-N-(2-(4-methoxyphenyl)benzo[d]oxazol-5-yl)-3-phenylpropanamide

Mol. Formula:
C23H21N3O3

M.W.:
387.44

Type:
---

AlogP:
4.01

Polar Surface Area:
90.38

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5272176

Name:
4-(((1,5-dimethyl-2-phenyl-3-(2-(4-phenylthiazol-2-yl)hydrazineylidene)-2,3Show More⌵

Mol. Formula:
C27H24N6OS

M.W.:
480.60

Type:
---

AlogP:
5.63

Polar Surface Area:
79.73

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS