Compounds

ALA2092922

Name:
(1R,2R,4S)-Cyclohexane-1,2,4-tris (methylenesulphonate)

Mol. Formula:
C9H18O9S3

M.W.:
366.44

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.32

Polar Surface Area:
163.11

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA2092837

Name:
(1R,2R,4R)-Cyclohexane-1,2,4-tris (methylenesulphonate)

Mol. Formula:
C9H18O9S3

M.W.:
366.44

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.32

Polar Surface Area:
163.11

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

[3,4-bis(dihydroxyphosphinothioyloxy)-2,5,6-trihydroxycyclohexyl] dihydrogen phosphate

Name:
Phosphoric acid mono-(2,3,6-trihydroxy-4,5-bis-thiophosphonooxy-cyclohexyl)Show More⌵

Mol. Formula:
C6H15O13P3S2

M.W.:
452.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-3.25

Polar Surface Area:
226.83

HBA:
9

HBD:
9

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA1160811

Name:
(1R,2R,4R)-Cyclohexane-1,2,4-tris (methylenephosphonate)

Mol. Formula:
C9H21O9P3

M.W.:
366.18

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.55

Polar Surface Area:
172.59

HBA:
3

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA1160802

Name:
(1R,2R,4R)-Cyclohexane-1,2,4-tris (methlyenephosphate)

Mol. Formula:
C9H21O12P3

M.W.:
414.18

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.35

Polar Surface Area:
200.28

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA1160801

Name:
1D-2,3,6-trideoxy-1D-myo-Inositol 1,4,5-trisphosphate

Mol. Formula:
C6H15O12P3

M.W.:
372.10

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.40

Polar Surface Area:
200.28

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA1160800

Name:
1D-3-deoxy-1D-myo-Inositol 1,4,5-trisphosphate

Mol. Formula:
C6H15O14P3

M.W.:
404.09

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.45

Polar Surface Area:
240.74

HBA:
8

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA1160798

Name:
Benzene-1,2,4-tris (methylenephosphonate)

Mol. Formula:
C9H15O9P3

M.W.:
360.13

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
0.72

Polar Surface Area:
172.59

HBA:
3

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA1160797

Name:
1D-2,3,6-trioxy-1D-myo-Inositol 1,4,5-trisphosphate

Mol. Formula:
C6H15O13P3

M.W.:
388.10

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.43

Polar Surface Area:
220.51

HBA:
7

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS