Compounds

ALA3351102

Name:
2-Hydroxymethyl-6-(4-phenyl-[1,2,3]triazol-1-yl)-tetrahydro-pyran-3,4,5-triShow More⌵

Mol. Formula:
C14H17N3O5

M.W.:
307.31

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.08

Polar Surface Area:
120.86

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3349977

Name:
2-Hydroxymethyl-6-(4-phenyl-[1,2,3]triazol-1-yl)-tetrahydro-pyran-3,4,5-triShow More⌵

Mol. Formula:
C14H17N3O5

M.W.:
307.31

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.08

Polar Surface Area:
120.86

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA534474

Name:
Piperidine-2,3,4,5-tetraol with hydrochloride

Mol. Formula:
C5H12ClNO4

M.W.:
185.61

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
-3.01

Polar Surface Area:
92.95

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA208021

Name:
D-1,4-dideoxy-4,4-difluoromannonojirimycin

Mol. Formula:
C6H11F2NO3

M.W.:
183.15

12 activity values

10 unique targets

Type:
Small molecule

AlogP:
-1.69

Polar Surface Area:
72.72

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA206628

Name:
D-1,4,6-trideoxy-4,4-difluoronojirimycin

Mol. Formula:
C6H11F2NO2

M.W.:
167.15

11 activity values

9 unique targets

Type:
Small molecule

AlogP:
-0.66

Polar Surface Area:
52.49

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.45

DETAILS

ALA207910

Name:
D-1,4-dideoxy-4,4-difluoronojirimycin

Mol. Formula:
C6H11F2NO3

M.W.:
183.15

10 activity values

9 unique targets

Type:
Small molecule

AlogP:
-1.69

Polar Surface Area:
72.72

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA350524

Name:
(3R,4R)-Tetrahydro-furan-3,4-diol

Mol. Formula:
C4H8O3

M.W.:
104.11

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.26

Polar Surface Area:
49.69

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.40

DETAILS

ALA161686

Name:
(2R,3S,4R)-2-Hydroxymethyl-tetrahydro-furan-3,4-diol

Mol. Formula:
C5H10O4

M.W.:
134.13

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.90

Polar Surface Area:
69.92

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA346520

Name:
(2R,3R,4R)-2-Hydroxymethyl-tetrahydro-furan-3,4-diol

Mol. Formula:
C5H10O4

M.W.:
134.13

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.90

Polar Surface Area:
69.92

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA157924

Name:
[4-(2-Amino-ethyl)-imidazol-1-yl]-phenyl-methanone

Mol. Formula:
C12H13N3O

M.W.:
215.26

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.07

Polar Surface Area:
60.91

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA161229

Name:
(3S,4R,5R)-Tetrahydro-pyran-3,4,5-triol

Mol. Formula:
C5H10O4

M.W.:
134.13

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.90

Polar Surface Area:
69.92

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA162077

Name:
(2R,3R,4R,5S)-2-Hydroxymethyl-tetrahydro-pyran-3,4,5-triol

Mol. Formula:
C6H12O5

M.W.:
164.16

10 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.54

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.34

DETAILS