Compounds

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2271123

Name:
1,4-Epidioxy-4-isopropyl-2-cyclohexene-1-methanol

Mol. Formula:
C10H16O3

M.W.:
184.24

Type:
Small molecule

AlogP:
1.42

Polar Surface Area:
38.69

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.52

DETAILS

ALA2271122

Name:
1,4-Epidioxy-4-isopropyl-2-cyclohexenoic acid

Mol. Formula:
C10H14O4

M.W.:
198.22

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
55.76

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.54

DETAILS

ALA2271121

Name:
E-3,6-Epidioxy-1-methyl-2-acetoxy-4-isopropenylcyclohexene

Mol. Formula:
C12H16O4

M.W.:
224.26

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2271120

Name:
Z-3,6-Epidioxy-1-methyl-2-acetoxy-4-isopropenylcyclohexene

Mol. Formula:
C12H16O4

M.W.:
224.26

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA2271119

Name:
E-3,6-Epidioxy-1-methyl-4-isopropenylcyclohexene

Mol. Formula:
C10H14O2

M.W.:
166.22

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.44

DETAILS

ALA2271118

Name:
Z-3,6-Epidioxy-1-methyl-4-isopropenylcyclohexene

Mol. Formula:
C10H14O2

M.W.:
166.22

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.44

DETAILS

ALA2271117

Name:
E-3,6-epidioxy-1-methyl-4-isopropylcyclohexene

Mol. Formula:
C10H16O2

M.W.:
168.24

Type:
Small molecule

AlogP:
2.31

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.44

DETAILS

ALA2271116

Name:
Z-3,6-epidioxy-1-methyl-4-isopropylcyclohexene

Mol. Formula:
C10H16O2

M.W.:
168.24