Compounds

ALA5270723

Name:
threo-23-O-methylneocyclocitrinol

Mol. Formula:
C26H38O4

M.W.:
414.59

Type:
---

AlogP:
4.37

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5270609

Name:
neocyclocitrinol D

Mol. Formula:
C25H36O4

M.W.:
400.56

Type:
---

AlogP:
3.71

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5269044

Name:
23-O-Methylneocyclocitrinol C

Mol. Formula:
C26H38O4

M.W.:
414.59

Type:
---

AlogP:
4.37

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5281269

Name:
Norcyclocitrinoic acid A

Mol. Formula:
C23H30O4

M.W.:
370.49

Type:
---

AlogP:
4.06

Polar Surface Area:
74.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5280130

Name:
(20S)-24-Oxocyclocitrinol

Mol. Formula:
C25H34O4

M.W.:
398.54

Type:
---

AlogP:
3.92

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5280106

Name:
isocyclocitrinol A

Mol. Formula:
C25H36O4

M.W.:
400.56

Type:
---

AlogP:
3.71

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5279276

Name:
(threo)-23-O-Acetylneocyclocitrinol

Mol. Formula:
C27H38O5

M.W.:
442.60

Type:
---

AlogP:
4.28

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5278890

Name:
23-Oxoneocyclocitrinol

Mol. Formula:
C25H34O4

M.W.:
398.54

Type:
---

AlogP:
3.92

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5278146

Name:
neocyclocitrinol A

Mol. Formula:
C25H36O4

M.W.:
400.56

Type:
---

AlogP:
3.71

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5278131

Name:
1'-(2-fluorophenyl)-2,2,6',6'-tetramethyl-1,2,3,4a,5',6',7',7a',9a,10-decahShow More⌵

Mol. Formula:
C30H33FN2O3

M.W.:
488.60

Type:
---

AlogP:
5.28

Polar Surface Area:
66.48

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5275294

Name:
22-O-acetylisocyclocitrinol A

Mol. Formula:
C27H38O5

M.W.:
442.60

Type:
---

AlogP:
4.28

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5273729

Name:
(threo)-24-O-Acetylneocyclocitrinol

Mol. Formula:
C27H38O5

M.W.:
442.60

Type:
---

AlogP:
4.28

Polar Surface Area:
83.83

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5286671

Name:
1'-(3-methoxyphenyl)-2,2,6',6'-tetramethyl-1,2,3,4a,5',6',7',7a',9a,10-decaShow More⌵

Mol. Formula:
C31H36N2O4

M.W.:
500.64

Type:
---

AlogP:
5.15

Polar Surface Area:
75.71

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5286577

Name:
Norcyclocitrinoic acid B

Mol. Formula:
C23H32O5

M.W.:
388.50

Type:
---

AlogP:
3.25

Polar Surface Area:
94.83

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5286077

Name:
20R-24-oxocyclocitrinol

Mol. Formula:
C25H34O4

M.W.:
398.54

Type:
---

AlogP:
3.92

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5283128

Name:
2,2,6',6'-tetramethyl-1'-(pyridin-2-yl)-1,2,3,4a,5',6',7',7a',9a,10-decahydShow More⌵

Mol. Formula:
C29H33N3O3

M.W.:
471.60

Type:
---

AlogP:
4.54

Polar Surface Area:
79.37

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5282857

Name:
antineocyclocitrinol A

Mol. Formula:
C25H36O4

M.W.:
400.56

Type:
---

AlogP:
3.71

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5287195

Name:
isocyclocitrinol B

Mol. Formula:
C25H36O4

M.W.:
400.56

Type:
---

AlogP:
3.71

Polar Surface Area:
77.76

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5267395

Name:
23-O-Methylneocyclocitrinol D

Mol. Formula:
C26H38O4

M.W.:
414.59

Type:
---

AlogP:
4.37

Polar Surface Area:
66.76

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5266031

Name:
N-((5-chlorothiophen-2-yl)methyl)-6,7-dimethoxyquinazolin-4-amine

Mol. Formula:
C15H14ClN3O2S

M.W.:
335.82

Type:
---

AlogP:
3.97

Polar Surface Area:
56.27

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS