Compounds

ALA5267577

Name:
6-bromo-2-(bromomethyl)-3-phenylquinazolin-4(3H)-one

Mol. Formula:
C15H10Br2N2O

M.W.:
394.07

Type:
---

AlogP:
4.04

Polar Surface Area:
34.89

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5267557

Name:
N-(2-(6-Bromo-3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)-4-oxoazeShow More⌵

Mol. Formula:
C27H20BrClN4O5

M.W.:
595.84

Type:
---

AlogP:
4.53

Polar Surface Area:
113.76

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5267345

Name:
2-methyl-6-(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-[1,2,4]triShow More⌵

Mol. Formula:
C14H11N7OS

M.W.:
325.36

Type:
---

AlogP:
1.64

Polar Surface Area:
96.66

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5267182

Name:
3-(((5-amino-1,3,4-thiadiazol-2-yl)methyl)amino)-6-bromo-2-methylquinazolinShow More⌵

Mol. Formula:
C12H11BrN6OS

M.W.:
367.23

Type:
---

AlogP:
1.64

Polar Surface Area:
98.72

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5267176

Name:
(S)-(4-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazol-1-yl)methyl acetate hydrogShow More⌵

Mol. Formula:
C16H21ClN2O2

M.W.:
308.81

Type:
---

AlogP:
3.17

Polar Surface Area:
44.12

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5267068

Name:
4-(2-(4-(1H-benzo[d]imidazol-2-yl)phenyl)hydrazineylidene)-2-(4-fluorophenyShow More⌵

Mol. Formula:
C23H17FN6O

M.W.:
412.43

Type:
---

AlogP:
4.56

Polar Surface Area:
85.74

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5267054

Name:
N'-((E)-4-hydroxybenzylidene)-2-((4-(2-(2-((4-hydroxybenzylidene)hydrazineyShow More⌵

Mol. Formula:
C20H19N7O4S

M.W.:
453.48

Type:
---

AlogP:
1.08

Polar Surface Area:
154.09

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5267036

Name:
3-((5-(4-(dimethylamino)phenyl)-4,5-dihydroisoxazol-3-yl)amino)-2-methylquiShow More⌵

Mol. Formula:
C20H21N5O2

M.W.:
363.42

Type:
---

AlogP:
2.79

Polar Surface Area:
71.75

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5266969

Name:
8,8-dimethyl-6-(oxiran-2-ylmethoxy)-2H,8H-pyrano[2,3-f]chromen-2-one

Mol. Formula:
C17H16O5

M.W.:
300.31

Type:
---

AlogP:
2.75

Polar Surface Area:
61.20

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5266962

Name:
N-(2-(3-(2-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)-4-oxoazetidin-1-Show More⌵

Mol. Formula:
C27H21ClN4O4

M.W.:
500.94

Type:
---

AlogP:
4.07

Polar Surface Area:
93.53

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5266876

Name:
N'-((6-bromo-3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)methyl)cinShow More⌵

Mol. Formula:
C24H18BrClN4O2

M.W.:
509.79

Type:
---

AlogP:
4.64

Polar Surface Area:
76.02

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5266632

Name:
3-((1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)amino)-6-bromo-2-methylquShow More⌵

Mol. Formula:
C20H18BrN5O2

M.W.:
440.30

Type:
---

AlogP:
3.32

Polar Surface Area:
79.59

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5266619

Name:
6-Bromo-3-((5-(4-methoxyphenyl)-4,5-dihydroisoxazol-3-yl)amino)-2-methylquiShow More⌵

Mol. Formula:
C19H17BrN4O3

M.W.:
429.27

Type:
---

AlogP:
3.49

Polar Surface Area:
77.74

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5266549

Name:
N,N-dipropyl-N'-[6-(trifluoromethoxy)-4H-3,1-benzothiazin-2-yl]acetamidine

Mol. Formula:
C17H22F3N3OS

M.W.:
373.44

Type:
---

AlogP:
5.36

Polar Surface Area:
37.19

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5266468

Name:
2-((6-bromo-2-methyl-4-oxoquinazolin-3(4H)-yl)glycyl)-N-((2,4,6-trioxohexahShow More⌵

Mol. Formula:
C17H17BrN8O5S

M.W.:
525.35

Type:
---

AlogP:
-1.51

Polar Surface Area:
175.35

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5266453

Name:
4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide

Mol. Formula:
C17H18N4O3S

M.W.:
358.42

Type:
---

AlogP:
1.73

Polar Surface Area:
109.98

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5266445

Name:
2-(dimethylamino)ethyl 2-propylpentanoate

Mol. Formula:
C12H25NO2

M.W.:
215.34

Type:
---

AlogP:
2.31

Polar Surface Area:
29.54

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5266346

Name:
6-(5-amino-3-(4-chlorophenyl)-1H-pyrazol-1-yl)-1,5-diphenyl-1,3a,5,7a-tetraShow More⌵

Mol. Formula:
C26H20ClN7O

M.W.:
481.95

Type:
---

AlogP:
4.48

Polar Surface Area:
92.11

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5266320

Name:
Ethyl (S)-4-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole-1-carboxylate hydrogShow More⌵

Mol. Formula:
C16H21ClN2O2

M.W.:
308.81

Type:
---

AlogP:
3.66

Polar Surface Area:
44.12

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5266274

Name:
4-oxo-N-o-tolyl-4,5,6,7-tetrahydro-1H-pyrimido[5,4-a]pyrrolizine-9-carboxamShow More⌵

Mol. Formula:
C17H16N4O2

M.W.:
308.34

Type:
---

AlogP:
2.23

Polar Surface Area:
79.78

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.76

DETAILS