Compounds

ALA5272627

Name:
4-(((3aR,6R,7R,9aR,9bS)-7-((3-carboxypropanoyl)oxy)-3a,6,9a-trimethyl-2-(2-Show More⌵

Mol. Formula:
C28H38O11

M.W.:
550.60

Type:
---

AlogP:
3.03

Polar Surface Area:
162.73

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5272618

Name:
6-(3-(dimethylamino)-2-hydroxypropoxy)-8,8-dimethyl-2H,8H-pyrano[2,3-f]chroShow More⌵

Mol. Formula:
C19H23NO5

M.W.:
345.40

Type:
---

AlogP:
2.28

Polar Surface Area:
72.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5272510

Name:
N-(2-chlorophenyl)-7-cyano-6-(3-morpholinopropanamido)-2,3-dihydro-1H-pyrroShow More⌵

Mol. Formula:
C22H24ClN5O3

M.W.:
441.92

Type:
---

AlogP:
2.87

Polar Surface Area:
99.39

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5272476

Name:
6-(4-chlorophenyl)-5-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxyShow More⌵

Mol. Formula:
C21H18ClNO3

M.W.:
367.83

Type:
---

AlogP:
5.06

Polar Surface Area:
51.46

HBA:
3

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5272042

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

Mol. Formula:
C29H24BrClN4O3

M.W.:
591.89

Type:
---

AlogP:
5.94

Polar Surface Area:
84.30

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5271888

Name:
5-(((5-(((6-bromo-2-methyl-4-oxoquinazolin-3(4H)-yl)amino)methyl)-1,3,4-thiShow More⌵

Mol. Formula:
C17H15BrN8O4S

M.W.:
507.33

Type:
---

AlogP:
0.46

Polar Surface Area:
160.00

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5271859

Name:
6-(2-chloroacetamido)-N-(2-chlorophenyl)-7-cyano-2,3-dihydro-1H-pyrrolizineShow More⌵

Mol. Formula:
C17H14Cl2N4O2

M.W.:
377.23

Type:
---

AlogP:
3.39

Polar Surface Area:
86.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5271812

Name:
N-(2-chlorophenyl)-6-(3-chloropropanamido)-7-cyano-2,3-dihydro-1H-pyrroliziShow More⌵

Mol. Formula:
C18H16Cl2N4O2

M.W.:
391.26

Type:
---

AlogP:
3.78

Polar Surface Area:
86.92

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5271805

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

Mol. Formula:
C15H19ClN2O2

M.W.:
294.78

Type:
---

AlogP:
3.27

Polar Surface Area:
44.12

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5271620

Name:
N-(4-(1-(hydroxyimino)ethyl)phenyl)-2-((5-(2-(4-methoxyphenyl)quinolin-4-ylShow More⌵

Mol. Formula:
C30H26N6O3S

M.W.:
550.64

Type:
---

AlogP:
6.20

Polar Surface Area:
114.52

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA5271516

Name:
1-(4H-benzo[d][1,3]thiazin-2-yl)-3-propylthiourea

Mol. Formula:
C12H15N3S2

M.W.:
265.41

Type:
---

AlogP:
2.80

Polar Surface Area:
36.42

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.81

DETAILS

ALA5271449

Name:
6-(2-hydroxy-3-(piperidin-1-yl)propoxy)-8,8-dimethyl-2H,8H-pyrano[2,3-f]chrShow More⌵

Mol. Formula:
C22H27NO5

M.W.:
385.46

Type:
---

AlogP:
3.20

Polar Surface Area:
72.14

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5271425

Name:
N-butyl-11-((7R,13S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,1Show More⌵

Mol. Formula:
C33H53NO3

M.W.:
511.79

Type:
---

AlogP:
7.65

Polar Surface Area:
69.56

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5271125

Name:
3-(5-(((6-bromo-2-methyl-4-oxoquinazolin-3(4H)-yl)amino)methyl)-1,3,4-thiadShow More⌵

Mol. Formula:
C22H19BrN6O3S2

M.W.:
559.47

Type:
---

AlogP:
3.85

Polar Surface Area:
102.24

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5271110

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

Mol. Formula:
C17H23ClN2O2

M.W.:
322.84

Type:
---

AlogP:
3.56

Polar Surface Area:
44.12

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5271078

Name:
N'-(4H-3,1-benzothiazin-2-yl)-N-methylacetamidine

Mol. Formula:
C11H13N3S

M.W.:
219.31

Type:
---

AlogP:
2.56

Polar Surface Area:
36.75

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.54

DETAILS

ALA5271035

Name:
3-((1-acetyl-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)amino)-6-bromoShow More⌵

Mol. Formula:
C20H18BrN5O3

M.W.:
456.30

Type:
---

AlogP:
3.02

Polar Surface Area:
99.82

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5271029

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

Mol. Formula:
C24H19BrN4O2

M.W.:
475.35

Type:
---

AlogP:
3.98

Polar Surface Area:
76.02

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5270936

Name:
Albiziasaponin B

Mol. Formula:
C47H74O18

M.W.:
927.09

Type:
---

AlogP:
-0.23

Polar Surface Area:
283.98

HBA:
18

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5270831

Name:
ethyl (6,8-dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)glycinate

Mol. Formula:
C13H13Br2N3O3

M.W.:
419.07

Type:
---

AlogP:
2.34

Polar Surface Area:
73.22

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS