Compounds

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
105.56

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5075942

Name:
(R)-2-amino-3-(5-(4-methoxyphenyl)furan-2-carboxamido)propanoic acid

Mol. Formula:
C15H16N2O5

M.W.:
304.30

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.10

Polar Surface Area:
114.79

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4649476

Name:
2-(3-Fluorobenzyl)-1-((4-methoxyphenoxy)methyl)-1,2-dihydropyrrolo[1,2-a]pyShow More⌵

Mol. Formula:
C22H21FN2O3

M.W.:
380.42

16 activity values

6 unique targets

Type:
Unknown

AlogP:
3.80

Polar Surface Area:
43.70

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4649350

Name:
2-(3-Chlorobenzyl)-6-methoxy-1-((4-methoxyphenoxy)methyl)-1,2-dihydroisoquiShow More⌵

Mol. Formula:
C25H24ClNO4

M.W.:
437.92

Type:
Unknown

AlogP:
5.06

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4648608

Name:
2-(3-Fluorobenzyl)-6-isopropoxy-1-((4-methoxyphenoxy)methyl)-1,4-dihydroisoShow More⌵

Mol. Formula:
C27H28FNO4

M.W.:
449.52

Type:
Unknown

AlogP:
5.33

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4648481

Name:
(6,7-Dimethoxy-1-((pyrimidin-2-yloxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yShow More⌵

Mol. Formula:
C24H22F3N3O4

M.W.:
473.45

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
73.78

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4648401

Name:
S-(-)-1-((4-Methoxyphenoxy)methyl)-2-(3-(trifluoromethyl)benzyl)-1,2-dihydrShow More⌵

Mol. Formula:
C23H21F3N2O3

M.W.:
430.43

7 activity values

5 unique targets

Type:
Unknown

AlogP:
4.68

Polar Surface Area:
43.70

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4647809

Name:
(3-Chloro-phenyl)-[2-methoxy-7-(4-methoxy-phenoxymethyl)-4,7-dihydro-5H-thiShow More⌵

Mol. Formula:
C23H22ClNO4S

M.W.:
443.95

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
48.00

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4647576

Name:
(6,7-Dimethoxy-1-((pyridin-3-yloxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)Show More⌵

Mol. Formula:
C25H23F3N2O4

M.W.:
472.46

Type:
Unknown

AlogP:
4.94

Polar Surface Area:
60.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4646900

Name:
(3-Chlorophenyl)(1-((4-methoxyphenoxy)methyl)-3,4-dihydropyrrolo[1,2-a]pyraShow More⌵

Mol. Formula:
C22H21ClN2O3

M.W.:
396.87

9 activity values

5 unique targets

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
43.70

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4646577

Name:
6-Methoxy-1-((4-methoxyphenoxy)methyl)-2-propyl-1,4-dihydroisoquinolin-3(2HShow More⌵

Mol. Formula:
C21H25NO4

M.W.:
355.43

Type:
Unknown

AlogP:
3.62

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4645032

Name:
S-(-)-(3-Chlorophenyl)(1-((4-methoxyphenoxy)methyl)-3,4-dihydropyrrolo[1,2-Show More⌵

Mol. Formula:
C22H21ClN2O3

M.W.:
396.87

7 activity values

5 unique targets

Type:
Unknown

AlogP:
4.43

Polar Surface Area:
43.70

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4644857

Name:
(3-Chlorophenyl)(4-((4-methoxyphenoxy)methyl)-1-methyl1,4,6,7-tetrahydro-5HShow More⌵

Mol. Formula:
C22H22ClN3O3

M.W.:
411.89

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
56.59

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4644471

Name:
6-Methoxy-1-((4-methoxyphenoxy)methyl)-2-(4,4,4-trifluorobutyl)-1,2-dihydroShow More⌵

Mol. Formula:
C22H24F3NO4

M.W.:
423.43

Type:
Unknown

AlogP:
4.55

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4644101

Name:
2-(3-(Dimethylamino)propyl)-6-methoxy-1-((4-methoxyphenoxy)methyl)-1,4-dihyShow More⌵

Mol. Formula:
C23H30N2O4

M.W.:
398.50

Type:
Unknown

AlogP:
3.16

Polar Surface Area:
51.24

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4644078

Name:
6-Methoxy-1-((4-methoxyphenoxy)methyl)-2-(2,2,2-trifluoroethyl)-1,2-dihydroShow More⌵

Mol. Formula:
C20H20F3NO4

M.W.:
395.38

7 activity values

Type:
Unknown

AlogP:
3.77

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4643379

Name:
(3-chlorophenyl)-[1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2Show More⌵

Mol. Formula:
C24H22ClNO3

M.W.:
407.90