Compounds

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
55.97

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3827471

Name:
7-(4-Fluorophenyl)tetrazolo[1,5-a]pyrimidine

Mol. Formula:
C10H6FN5

M.W.:
215.19

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
55.97

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3827998

Name:
7-(4-Chlorophenyl)tetrazolo[1,5-a]pyrimidine

Mol. Formula:
C10H6ClN5

M.W.:
231.65

Type:
Small molecule

AlogP:
1.84

Polar Surface Area:
55.97

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3827130

Name:
7-Phenyltetrazolo[1,5-a]pyrimidine

Mol. Formula:
C10H7N5

M.W.:
197.20

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
55.97

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA592439

Name:
5-Deoxy-1,2-O-isopropylidene-5-[4-(1-cyclohexene)-1H-1,2,3-triazole-1-yl]-aShow More⌵

Mol. Formula:
C16H23N3O4

M.W.:
321.38

Type:
Small molecule

AlogP:
1.47

Polar Surface Area:
78.63

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA589553

Name:
5-Deoxy-1,2-O-isopropylidene-5-(4-phenyl-1H-1,2,3-triazole-1-yl)-alpha-D-xyShow More⌵

Mol. Formula:
C16H19N3O4

M.W.:
317.35

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
78.63

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA600430

Name:
1,2:5,6-Di-O-isopropylidene-3-(4-phenyl-1H-1,2,3-triazole-1-yl)-alpha-D-aloShow More⌵

Mol. Formula:
C20H25N3O5

M.W.:
387.44

Type:
Small molecule

AlogP:
2.51

Polar Surface Area:
76.86

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA601194

Name:
1,2:3,4-Di-O-isopropylidene-6-(4-phenyl-1H-1,2,3-triazole-1-yl)-alpha-D-galShow More⌵

Mol. Formula:
C20H25N3O5

M.W.:
387.44

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
76.86

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA589302

Name:
1-O-Methyl-2,3-O-isopropylidene-5-[4-(1-hydroxy-1,3-dimethylbutyl)-1H-1,2,3Show More⌵

Mol. Formula:
C17H29N3O5

M.W.:
355.44

Type:
Small molecule

AlogP:
1.42

Polar Surface Area:
87.86

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA590279

Name:
1-O-Methyl-2,3-O-isopropylidene-5-[4-(tetrahydro-2H-pyran)-methyl)-1H-1,2,3Show More⌵

Mol. Formula:
C17H27N3O6

M.W.:
369.42

2 activity values

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
86.09

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA590278

Name:
1-O-Methyl-2,3-O-isopropylidene-5-[4-(1-hydroxy-1-methylpropyl)-1H-1,2,3-trShow More⌵

Mol. Formula:
C15H25N3O5

M.W.:
327.38

Type:
Small molecule

AlogP:
0.79

Polar Surface Area:
87.86

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA601301

Name:
1-O-Methyl-2,3-O-isopropylidene-5-(4-propyl-1H-1,2,3-triazol-1-yl)-beta-D-rShow More⌵

Mol. Formula:
C14H23N3O4

M.W.:
297.36

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA597187

Name:
1-O-Methyl-2,3-O-isopropylidene-5-[4-(1-hydroxy-1-methylethyl)-1H-1,2,3-triShow More⌵

Mol. Formula:
C14H23N3O5

M.W.:
313.35

Type:
Small molecule

AlogP:
0.40

Polar Surface Area:
87.86

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA597186

Name:
1-O-Methyl-2,3-O-isopropylidene-5-[4-(1-hydroxycyclohexil)-1H-1,2,3-triazolShow More⌵

Mol. Formula:
C17H27N3O5

M.W.:
353.42

Type:
Small molecule

AlogP:
1.32

Polar Surface Area:
87.86

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA596983

Name:
1-O-Methyl-2,3-O-isopropylidene-5-[4-(3-chloropropyl)-1H-1,2,3-triazol-1-ylShow More⌵

Mol. Formula:
C14H22ClN3O4

M.W.:
331.80

Type:
Small molecule

AlogP:
1.34

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA597996

Name:
1-O-Methyl-2,3-O-isopropylidene-5-(4-phenoxymethyl-1H-1,2,3-triazol-1-yl)-bShow More⌵

Mol. Formula:
C18H23N3O5

M.W.:
361.40

5 activity values

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
76.86

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA603160

Name:
1-O-Methyl-2,3-O-isopropylidene-5-(4-carboxylate ethyl-1H-1,2,3-triazol-1-yShow More⌵

Mol. Formula:
C14H21N3O6

M.W.:
327.34

2 activity values

Type:
Small molecule

AlogP:
0.35

Polar Surface Area:
93.93

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA608150

Name:
1-O-Methyl-2,3-O-isopropylidene-5-(4-hydroxymethyl-1H-1,2,3-triazol-1-yl)-bShow More⌵

Mol. Formula:
C12H19N3O5

M.W.:
285.30

Type:
Small molecule

AlogP:
-0.34

Polar Surface Area:
87.86

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA598823

Name:
1-O-Methyl-2,3-O-isopropylidene-5-(4-cyclohexene-1H-1,2,3-triazol-1-yl)-betShow More⌵

Mol. Formula:
C17H25N3O4

M.W.:
335.40

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
67.63

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA598822

Name:
1-O-Methyl-2,3-O-isopropylidene-5-(4-phenyl-1H-1,2,3-triazol-1-yl)-beta-D-rShow More⌵

Mol. Formula:
C17H21N3O4

M.W.:
331.37

4 activity values