Compounds

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1819495

Name:
[2-(4-Chlorobenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C20H23ClO5

M.W.:
378.85

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1819494

Name:
[2-(4-Fluorobenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C20H23FO5

M.W.:
362.40

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA1819493

Name:
[2-(4-Hydroxybenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C20H24O6

M.W.:
360.41

Type:
Small molecule

AlogP:
0.83

Polar Surface Area:
110.38

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1819492

Name:
[2-(4-Methylsulfanylbenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C21H26O5S

M.W.:
390.50

Type:
Small molecule

AlogP:
1.84

Polar Surface Area:
90.15

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA1817688

Name:
[2-(4-Ethoxybenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C22H28O6

M.W.:
388.46

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1819491

Name:
[2-(4-Methoxybenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C21H26O6

M.W.:
374.43

15 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA1819490

Name:
[2-(4-Vinylbenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C22H26O5

M.W.:
370.45

Type:
Small molecule

AlogP:
1.76

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1819489

Name:
[2-(4-Cyclopropylbenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C23H28O5

M.W.:
384.47

Type:
Small molecule

AlogP:
2.00

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1819488

Name:
[2-(4-Isopropylbenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C23H30O5

M.W.:
386.49

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA1819487

Name:
[2-(4-n-Propylbenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C23H30O5

M.W.:
386.49

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1819486

Name:
[2-(4-Ethylbenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C22H28O5

M.W.:
372.46

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA1819485

Name:
[2-(4-Methylbenzyl)phenyl]-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C21H26O5

M.W.:
358.43

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1819484

Name:
(2-Benzylphenyl)-5a-carba-beta-D-glucopyranoside

Mol. Formula:
C20H24O5

M.W.:
344.41

Type:
Small molecule

AlogP:
1.12

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA1778795

Name:
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-(16-oxa-tricyclo[15.2.2.0*3,8*]henicosa-Show More⌵

Mol. Formula:
C26H34O6

M.W.:
442.55

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1778794

Name:
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-(15-oxa-tricyclo[14.2.2.0*3,8*]icosa-1(1Show More⌵

Mol. Formula:
C25H32O6

M.W.:
428.53

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1778659

Name:
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-(16-oxa-tricyclo[15.2.2.0*3,8*]henicosa-Show More⌵

Mol. Formula:
C26H32O6

M.W.:
440.54

Type:
Small molecule

AlogP:
2.45

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA1778658

Name:
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-(15-oxa-tricyclo[14.2.2.0*3,8*]icosa-1(1Show More⌵

Mol. Formula:
C25H30O6

M.W.:
426.51

Type:
Small molecule

AlogP:
2.06

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA1778657

Name:
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(4-(pent-2-enyloxy)benzyl)phenyl)teShow More⌵

Mol. Formula:
C24H30O6

M.W.:
414.50