Compounds

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4514262

Name:
Neopierisoid B

Mol. Formula:
C31H43ClO14

M.W.:
675.12

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
198.26

HBA:
14

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4470993

Name:
Pierisketolide B

Mol. Formula:
C21H34O3

M.W.:
334.50

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
57.53

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4465257

Name:
Neopierisoid A

Mol. Formula:
C31H43ClO14

M.W.:
675.12

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
198.26

HBA:
14

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2269670

Name:
(3aS,6aS)-2-cyclohexyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan

Mol. Formula:
C12H18O2

M.W.:
194.27

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA2269669

Name:
(3aR,6aS)-5-cyclohexylhexahydrofuro[2,3-b]furan-2-ol

Mol. Formula:
C12H20O3

M.W.:
212.29

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
38.69

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA2269668

Name:
(3aS,6aR)-2-cyclohexylhexahydrofuro[2,3-b]furan

Mol. Formula:
C12H20O2

M.W.:
196.29

Type:
Small molecule

AlogP:
2.72

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA2269667

Name:
(3aR,6aS)-2-cyclohexyl-5-ethoxyhexahydrofuro[2,3-b]furan

Mol. Formula:
C14H24O3

M.W.:
240.34

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
27.69

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2269666

Name:
(3aR,6aS)-5-cyclohexylhexahydrofuro[2,3-b]furan-2-yl acetate

Mol. Formula:
C14H22O4

M.W.:
254.33

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA2269665

Name:
(3aR,6aS)-5-cyclohexyltetrahydrofuro[2,3-b]furan-2(6aH)-one

Mol. Formula:
C12H18O3

M.W.:
210.27

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.62

DETAILS

ALA2269664

Name:
(3aR*,5S*,6aR*)-5-Cyclohexyl-3a,4,5,6a-tetra-hydrofuro[2,3-b]furan-2(3H)-onShow More⌵

Mol. Formula:
C12H18O3

M.W.:
210.27

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.62

DETAILS

ALA2269663

Name:
(3aS*,5R*,6aR*)-5-Cyclohexyl-3a,4,5,6a-tetra-hydrofuro[2,3-b]furan-2(3H)-onShow More⌵

Mol. Formula:
C12H18O3

M.W.:
210.27

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.62

DETAILS

ALA2269662

Name:
(3aS,6aR)-2-hexyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan

Mol. Formula:
C12H20O2

M.W.:
196.29

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2269661

Name:
(3aS,6aR)-5-hexyltetrahydrofuro[2,3-b]furan-2(6aH)-one

Mol. Formula:
C12H20O3

M.W.:
212.29

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2269660

Name:
(3aS,6aS)-2-phenyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan

Mol. Formula:
C12H12O2

M.W.:
188.23

Type:
Small molecule

AlogP:
2.63

Polar Surface Area:
18.46

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.67

DETAILS

ALA2269659

Name:
(3aS,6aR)-5-decyltetrahydrofuro[2,3-b]furan-2(6aH)-one

Mol. Formula:
C16H28O3

M.W.:
268.40

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2269658

Name:
(2S,3aR,6aS)-2-cyclohexyl-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-3a-ol

Mol. Formula:
C12H18O3

M.W.:
210.27

Type:
Small molecule

AlogP:
1.96

Polar Surface Area:
38.69

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA2269657

Name:
rac-(3aS,5S,6aR)-5-phenyltetrahydrofuro[2,3-b]furan-2(6aH)-one

Mol. Formula:
C12H12O3

M.W.:
204.22

Type:
Small molecule

AlogP:
2.04

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA2269656

Name:
rac-(3aS,5R,6aR)-5-decyltetrahydrofuro[2,3-b]furan-2(6aH)-one

Mol. Formula:
C16H28O3

M.W.:
268.40

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
35.53

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2269655

Name:
(2S,3aR,6aR)-2-cyclohexyl-5-methoxyhexahydrofuro[2,3-b]furan-3a-ol

Mol. Formula:
C13H22O4

M.W.:
242.31