Compounds

ALA5266436

Name:
1-(3-hydroxynaphthalen-2-yl)-3-(2-methoxy-4-nitrophenyl)prop-2-en-1-one oxiShow More⌵

Mol. Formula:
C20H16N2O5

M.W.:
364.36

Type:
---

AlogP:
4.35

Polar Surface Area:
105.19

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5266327

Name:
2-((5-isopropyl-2-methylphenyl)amino)-2-oxoethyl 2,4-dihydroxybenzoate

Mol. Formula:
C19H21NO5

M.W.:
343.38

Type:
---

AlogP:
3.33

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5266021

Name:
(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl benzo[d][1,3]dioxole-5-carboxylate

Mol. Formula:
C14H10O7

M.W.:
290.23

Type:
---

AlogP:
1.43

Polar Surface Area:
95.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5266001

Name:
2-(4-((1-(3,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)-1H-benzShow More⌵

Mol. Formula:
C23H17Cl2N5O

M.W.:
450.33

Type:
---

AlogP:
5.76

Polar Surface Area:
68.62

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5265985

Name:
3-(2,4-dihydroxyphenyl)-1-(furan-2-yl)prop-2-en-1-one

Mol. Formula:
C13H10O4

M.W.:
230.22

Type:
---

AlogP:
2.59

Polar Surface Area:
70.67

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5265798

Name:

Mol. Formula:
C14H9BF2N2O

M.W.:
270.05

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5265787

Name:
2-[5-(4-pyridyl)-4,5-dihydro-1H-pyrazol-3-yl]aniline

Mol. Formula:
C14H14N4

M.W.:
238.29

Type:
---

AlogP:
2.10

Polar Surface Area:
63.30

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5282064

Name:
N'-(3-ethoxy-4-hydroxybenzylidene)-4-hydroxy-3-methoxybenzohydrazide

Mol. Formula:
C17H18N2O5

M.W.:
330.34

Type:
---

AlogP:
2.27

Polar Surface Area:
100.38

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5280884

Name:
2-((4-((3,5-dimethoxyphenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-5-hydroxShow More⌵

Mol. Formula:
C17H17N3O6

M.W.:
359.34

Type:
---

AlogP:
1.58

Polar Surface Area:
108.84

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5280416

Name:
6,6'-(ethene-1,2-diyl)bis(3-hydroxy-4H-pyran-4-one)

Mol. Formula:
C12H8O6

M.W.:
248.19

Type:
---

AlogP:
1.17

Polar Surface Area:
100.88

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5279351

Name:
(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yShow More⌵

Mol. Formula:
C17H14O7

M.W.:
330.29

Type:
---

AlogP:
1.87

Polar Surface Area:
95.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5279141

Name:
2-((4-((4-chlorophenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-5-hydroxy-4H-Show More⌵

Mol. Formula:
C15H12ClN3O4

M.W.:
333.73

Type:
---

AlogP:
2.22

Polar Surface Area:
90.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5279001

Name:
1-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one

Mol. Formula:
C18H18O5

M.W.:
314.34

Type:
---

AlogP:
3.31

Polar Surface Area:
64.99

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5278450

Name:
(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl 2,3-dihydrobenzo[b][1,4]dioxine-6-carShow More⌵

Mol. Formula:
C15H12O7

M.W.:
304.25

Type:
---

AlogP:
1.47

Polar Surface Area:
95.20

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5277673

Name:
2-((5-isopropyl-2-methylphenyl)amino)-2-oxoethyl-3-(2,4-dihydroxyphenyl)acrShow More⌵

Mol. Formula:
C21H23NO5

M.W.:
369.42

Type:
---

AlogP:
3.72

Polar Surface Area:
95.86

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5277544

Name:
(2R,2'R,3S,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-((5-(2,4-dihydroxyphenethyl)-1,3-Show More⌵

Mol. Formula:
C26H34O14

M.W.:
570.54

Type:
---

AlogP:
-2.76

Polar Surface Area:
239.22

HBA:
14

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5277342

Name:
5-hydroxy-2-((4-((naphthalen-2-yloxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-Show More⌵

Mol. Formula:
C19H15N3O4

M.W.:
349.35

Type:
---

AlogP:
2.72

Polar Surface Area:
90.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5277261

Name:
2-(chloromethyl)-10-(4-fluorophenyl)-7,7-dimethyl-6,7,8,10-tetrahydropyranoShow More⌵

Mol. Formula:
C21H18ClFO4

M.W.:
388.82

Type:
---

AlogP:
4.69

Polar Surface Area:
56.51

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5276752

Name:
2-((4-((3-chlorophenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl)-5-hydroxy-4H-Show More⌵

Mol. Formula:
C15H12ClN3O4

M.W.:
333.73

Type:
---

AlogP:
2.22

Polar Surface Area:
90.38

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5276716

Name:
5-(2-fluorobenzyl)-4-((4-hydroxybenzylidene)amino)-2,4-dihydro-3H-1,2,4-triShow More⌵

Mol. Formula:
C16H13FN4OS

M.W.:
328.37

Type:
---

AlogP:
3.26

Polar Surface Area:
66.20

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.57

DETAILS