Compounds

ALA5272372

Name:
20(R)-panaxadiol-3-yl cinnamate

Mol. Formula:
C39H58O4

M.W.:
590.89

Type:
---

AlogP:
9.01

Polar Surface Area:
55.76

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5271886

Name:
N-(5-chloro-2-hydroxyphenyl)-2H-chromene-3-carboxamide

Mol. Formula:
C16H12ClNO3

M.W.:
301.73

Type:
---

AlogP:
3.46

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5271707

Name:
N-(2-methoxyphenyl)-2H-chromene-3-carboxamide

Mol. Formula:
C17H15NO3

M.W.:
281.31

Type:
---

AlogP:
3.11

Polar Surface Area:
47.56

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA5271380

Name:
5-(3,4-dimethoxyphenethyl)-2-(hexan-2-yloxy)-1,3-dimethoxybenzene

Mol. Formula:
C24H34O5

M.W.:
402.53

Type:
---

AlogP:
5.46

Polar Surface Area:
46.15

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5271072

Name:
Ethyl (S)-2-methyl-4-(2-nitrophenyl)-4,11-dihydro-1H-benzo[b]pyrido[2,3-e][Show More⌵

Mol. Formula:
C22H20N4O4

M.W.:
404.43

Type:
---

AlogP:
4.16

Polar Surface Area:
105.86

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5270960

Name:
20(R)-panaxadiol-3-yl heptylcarbamate

Mol. Formula:
C38H67NO4

M.W.:
601.96

Type:
---

AlogP:
9.45

Polar Surface Area:
67.79

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5270952

Name:
5-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydrShow More⌵

Mol. Formula:
C20H15FN2O2S

M.W.:
366.42

Type:
---

AlogP:
4.97

Polar Surface Area:
34.06

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5270934

Name:
20(R)-panaxadiol-3-yl (E)-3-(4-morpholinophenyl)acrylate

Mol. Formula:
C43H65NO5

M.W.:
676.00

Type:
---

AlogP:
8.84

Polar Surface Area:
68.23

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5270753

Name:
Acanthasteroside B1

Mol. Formula:
C40H68O14

M.W.:
772.97

Type:
---

AlogP:
0.87

Polar Surface Area:
217.22

HBA:
14

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5270687

Name:
20(R)-panaxadiol-3-yl 2-(4-benzylpiperazin-1-yl)acetate hydrochloride

Mol. Formula:
C43H69ClN2O4

M.W.:
713.49

Type:
---

AlogP:
8.11

Polar Surface Area:
62.24

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5270017

Name:
5-(3,4-dimethoxyphenethyl)-1,3-dimethoxy-2-propoxybenzene

Mol. Formula:
C21H28O5

M.W.:
360.45

Type:
---

AlogP:
4.30

Polar Surface Area:
46.15

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5269598

Name:
4-[5-(2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yShow More⌵

Mol. Formula:
C21H15N3O2S

M.W.:
373.44

Type:
---

AlogP:
4.70

Polar Surface Area:
57.85

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5269457

Name:
20(R)-panaxadiol-3-yl (E)-3-(3-hydroxy-4-methoxyphenyl)acrylate

Mol. Formula:
C40H60O6

M.W.:
636.91

Type:
---

AlogP:
8.72

Polar Surface Area:
85.22

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5269380

Name:
8-chloro-N-(5-hydroxy-2-methylphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamShow More⌵

Mol. Formula:
C17H13ClN2O3

M.W.:
328.75

Type:
---

AlogP:
3.45

Polar Surface Area:
82.19

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5269161

Name:
N-(4-methoxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

Mol. Formula:
C17H14N2O3

M.W.:
294.31

Type:
---

AlogP:
2.79

Polar Surface Area:
71.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5268982

Name:
20(R)-panaxadiol-3-yl (4-methoxyphenyl)carbamate

Mol. Formula:
C38H59NO5

M.W.:
609.89

Type:
---

AlogP:
9.01

Polar Surface Area:
77.02

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5268942

Name:
N-(5-hydroxy-2-methylphenyl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxaShow More⌵

Mol. Formula:
C18H16N2O4

M.W.:
324.34

Type:
---

AlogP:
2.80

Polar Surface Area:
91.42

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5268711

Name:
Acanthasteroside A1

Mol. Formula:
C34H58O10

M.W.:
626.83

Type:
---

AlogP:
1.75

Polar Surface Area:
169.30

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5268554

Name:
N-(4-methoxy-2-methylphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

Mol. Formula:
C18H16N2O3

M.W.:
308.34

Type:
---

AlogP:
3.10

Polar Surface Area:
71.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5268473

Name:
5-bromo-N-(2,6-dimethoxyphenyl)-2H-chromene-3-carboxamide

Mol. Formula:
C18H16BrNO4

M.W.:
390.23

Type:
---

AlogP:
3.88

Polar Surface Area:
56.79

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS