Compounds

Type:
Small molecule

AlogP:
2.36

Polar Surface Area:
88.69

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA3979088

Name:
1-(3-aminophenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole

Mol. Formula:
C17H16N2O

M.W.:
264.33

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
51.04

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3976525

Name:
4-Methoxybenzyl 4,6-diphenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylaShow More⌵

Mol. Formula:
C25H22N2O4

M.W.:
414.46

Type:
Small molecule

AlogP:
4.20

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3976335

Name:
4-Methoxybenzyl 4-(3-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidShow More⌵

Mol. Formula:
C20H19ClN2O4

M.W.:
386.83

Type:
Small molecule

AlogP:
3.72

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3976099

Name:
4-Methoxybenzyl 4-cyclopropyl-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5Show More⌵

Mol. Formula:
C17H20N2O4

M.W.:
316.36

Type:
Small molecule

AlogP:
2.10

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA3974084

Name:
4-Methoxybenzyl 6-cyclohexyl-2-oxo-4-phenyl-1, 2,3,4-tetrahydropyrimidine-5Show More⌵

Mol. Formula:
C25H28N2O4

M.W.:
420.51

Type:
Small molecule

AlogP:
4.63

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3969249

Name:
4-Fluorobenzyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboShow More⌵

Mol. Formula:
C19H17FN2O3

M.W.:
340.35

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA3966686

Name:
4-Chlorobenzyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboShow More⌵

Mol. Formula:
C19H17ClN2O3

M.W.:
356.81

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
67.43

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

Potassium 4-benzyloxyphenyltrifluoroborate

Name:
potassium(4-(benzyloxy)phenyl)trifluoroborate

Mol. Formula:
C13H11BF3KO

M.W.:
290.13

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3959979

Name:
4-Methoxybenzyl 4-(thiophen-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidiShow More⌵

Mol. Formula:
C18H18N2O4S

M.W.:
358.42

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
76.66

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3959729

Name:
4-methoxybenzyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-cShow More⌵

Mol. Formula:
C20H20N2O3S

M.W.:
368.46

Type:
Small molecule

AlogP:
3.23

Polar Surface Area:
59.59

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3957527

Name:
1-(3-chloro-4-fluorophenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole

Mol. Formula:
C17H13ClFNO

M.W.:
301.75

Type:
Small molecule

AlogP:
4.62

Polar Surface Area:
25.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3957039

Name:
4-Metboxybenzyl 1,3,6-trimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidineShow More⌵

Mol. Formula:
C22H24N2O4

M.W.:
380.44

Type:
Small molecule

AlogP:
3.75

Polar Surface Area:
59.08

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA3954902

Name:
1-(3-bromophenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole

Mol. Formula:
C17H14BrNO

M.W.:
328.21

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
25.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA3952962

Name:
4-Methoxybenzyl 6-ethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboShow More⌵

Mol. Formula:
C21H22N2O4

M.W.:
366.42

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
76.66

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA3951491

Name:
1-(3-nitrophenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole

Mol. Formula:
C17H14N2O3

M.W.:
294.31

Type:
Small molecule

AlogP:
3.74

Polar Surface Area:
68.16

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3950462

Name:
4-Methoxybenzyl 6-methyl-2-oxo-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidiShow More⌵

Mol. Formula:
C18H18N2O4S

M.W.:
358.42

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
76.66

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA3945731

Name:
4-Methoxybenzyl 2-oxo-4-phenyl-6-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidiShow More⌵

Mol. Formula:
C23H20N2O4S

M.W.:
420.49

Type:
Small molecule

AlogP:
4.27

Polar Surface Area:
76.66

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3943543

Name:
1-(benzo[d][1,3]dioxol-4-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole

Mol. Formula:
C18H15NO3

M.W.:
293.32

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
43.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA3943027

Name:
4-Methoxybenzyl 2-oxo-6-(benzamidomethyl)-4-phenyl-1,2,3,4-tetrahydropyrimiShow More⌵

Mol. Formula:
C27H25N3O5

M.W.:
471.51