Compounds

Type:
Small molecule

AlogP:
5.70

Polar Surface Area:
57.23

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4098977

Name:
(6-Ethoxy-1-((4-ethoxyphenoxy)methyl)-3,4-dihydroi
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Mol. Formula:
C27H28FNO4

M.W.:
449.52

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4094694

Name:
(1-((4-Ethoxyphenoxy)methyl)-6-isopropoxy-3,4-dihy
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Mol. Formula:
C29H33NO4

M.W.:
459.59

Type:
Small molecule

AlogP:
6.00

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4094607

Name:
(3-Hydroxyphenyl)(6-isopropoxy-1-((4-methoxyphenox
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Mol. Formula:
C27H29NO5

M.W.:
447.53

Type:
Small molecule

AlogP:
5.01

Polar Surface Area:
68.23

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4104348

Name:
(3-Chlorophenyl)(1-((4-ethoxyphenoxy)methyl)-6-iso
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Mol. Formula:
C28H30ClNO4

M.W.:
480.00

Type:
Small molecule

AlogP:
6.34

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4102790

Name:
(3-Chlorophenyl)(6-isopropoxy-1-((3-methoxyphenoxy
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Mol. Formula:
C27H28ClNO4

M.W.:
465.98

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4102354

Name:
(4-Chlorophenyl)(6-isopropoxy-1-((4-methoxyphenoxy
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Mol. Formula:
C27H28ClNO4

M.W.:
465.98

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4101985

Name:
(R)-(3-chlorophenyl)(6-isopropoxy-1-((4-methoxyphe
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Mol. Formula:
C27H28ClNO3S

M.W.:
482.05

Type:
Small molecule

AlogP:
6.49

Polar Surface Area:
30.93

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4101865

Name:
(3-Fluorophenyl)(6-isopropoxy-1-((4-(trifluorometh
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Mol. Formula:
C27H25F4NO4

M.W.:
503.49

Type:
Small molecule

AlogP:
6.33

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4101301

Name:
(3-Fluorophenyl)(6-isopropoxy-1-((4-isopropoxyphen
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Mol. Formula:
C29H32FNO4

M.W.:
477.58

Type:
Small molecule

AlogP:
6.22

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4100452

Name:
(6-Isopropoxy-1-((4-isopropoxyphenoxy)methyl)-3,4-
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Mol. Formula:
C30H32F3NO3S

M.W.:
543.65

6 activity values

Type:
Small molecule

AlogP:
7.63

Polar Surface Area:
30.93

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4100185

Name:
(3-Chloro-4-fluorophenyl)(1-((4-ethoxyphenoxy)meth
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Mol. Formula:
C28H29ClFNO4

M.W.:
497.99

Type:
Small molecule

AlogP:
6.48

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4099510

Name:
(1-((4-Ethoxyphenoxy)methyl)-6-isopropoxy-3,4-dihy
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Mol. Formula:
C29H30F3NO3S

M.W.:
529.62

6 activity values

Type:
Small molecule

AlogP:
7.25

Polar Surface Area:
30.93

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4094134

Name:
(3-Chlorophenyl)(6-isopropoxy-1-((4-isopropoxyphen
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Mol. Formula:
C29H32ClNO4

M.W.:
494.03

Type:
Small molecule

AlogP:
6.73

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4093717

Name:
(6-Isopropoxy-1-((4-methoxyphenoxy)methyl)-3,4-dih
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Mol. Formula:
C27H28N2O6

M.W.:
476.53

Type:
Small molecule

AlogP:
5.21

Polar Surface Area:
91.14

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4091772

Name:
(R)-(3-chlorophenyl)(6-isopropoxy-1-((4-methoxyphe
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Mol. Formula:
C27H28ClNO4

M.W.:
465.98

Type:
Small molecule

AlogP:
5.95

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4091770

Name:
(3-Chlorophenyl)(6-isopropoxy-1-((4-isopropoxyphen
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Mol. Formula:
C29H32ClNO3S

M.W.:
510.10

Type:
Small molecule

AlogP:
7.27

Polar Surface Area:
30.93

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4091645

Name:
(3-Fluorophenyl)(6-isopropoxy-1-((4-methoxyphenoxy
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Mol. Formula:
C27H28FNO3S

M.W.:
465.59

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
30.93

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4091508

Name:
(2-Chlorophenyl)(1-((4-ethoxyphenoxy)methyl)-6-iso
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Mol. Formula:
C28H30ClNO4

M.W.:
480.00

Type:
Small molecule

AlogP:
6.34

Polar Surface Area:
48.00

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4089357

Name:
(3-Chlorophenyl)(1-((4-ethoxyphenoxy)methyl)-6-iso
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Mol. Formula:
C28H30ClNO3S

M.W.:
496.07