Compounds

ALA2270091

Name:
Diethyl N,N'-(1,3-Dideoxyglycer-1,3-diyl)-bis(dithiocarbamate)

Mol. Formula:
C9H18N2OS4

M.W.:
298.52

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
44.29

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2270090

Name:
1,3-Dideoxy-1,3-di-S-(N,N-diethyldithiocarbamoyl)-2-oxoglycerol

Mol. Formula:
C13H24N2OS4

M.W.:
352.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.28

Polar Surface Area:
23.55

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA2270089

Name:
2-O-Octanoyl-1,3-dideoxy-1,3-di-S-(N,N-diethyldithiocarbamoyl)glycerol

Mol. Formula:
C21H40N2O2S4

M.W.:
480.83

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.98

Polar Surface Area:
32.78

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA2270088

Name:
2-O-Butanoyl-1,3-dideoxy-1,3-di-S-(N,N-diethyldithiocarbamoyl)glycerol

Mol. Formula:
C17H32N2O2S4

M.W.:
424.72

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.42

Polar Surface Area:
32.78

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2270087

Name:
2-O-Acetyl-1,3-dideoxy-1,3-di-S-(N,N-diethyldithiocarbamoyl)glycerol

Mol. Formula:
C15H28N2O2S4

M.W.:
396.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
32.78

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA2270086

Name:
1-S-(N,N-Diethyldithiocarbamoyl)-DL-glycerol

Mol. Formula:
C8H17NO2S2

M.W.:
223.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.70

Polar Surface Area:
43.70

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2270085

Name:
3,6-Dideoxybis[3,6-S-(N,N-diethyldithiocarbamoyl)]-D-glucopyranose

Mol. Formula:
C16H30N2O4S4

M.W.:
442.69

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.51

Polar Surface Area:
76.40

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2270084

Name:
3,6-Dideoxybis[3,6-S-(N,N-diethyldithiocarbamoyl)]-1,2-O-isopropylidene-alpShow More⌵

Mol. Formula:
C19H34N2O4S4

M.W.:
482.76

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
54.40

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2270083

Name:
Bis[1,3-S-(N,N-diethyldithiocarbamoyl)]-1,3-dideoxyglycerol

Mol. Formula:
C9H18N2OS4

M.W.:
298.52

3 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.68

Polar Surface Area:
49.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS