Compounds

ALA538111

Name:
Carboxymethyl-dimethyl-lambda*4*-sulfanium

Mol. Formula:
C4H9ClO2S

M.W.:
156.63

7 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.05

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.52

DETAILS

ALA151404

Name:
4-Carboxymethyl-4-methyl-morpholin-4-ium chloride

Mol. Formula:
C7H14ClNO3

M.W.:
195.65

7 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.45

Polar Surface Area:
46.53

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.56

DETAILS

ALA151849

Name:
1-Carboxymethyl-1-methyl-pyrrolidinium chloride

Mol. Formula:
C7H14ClNO2

M.W.:
179.65

7 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.31

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.57

DETAILS

ALA347950

Name:
Carboxymethyl-diethyl-methyl-ammonium chloride

Mol. Formula:
C7H16ClNO2

M.W.:
181.66

7 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.56

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA151396

Name:
Carboxymethyl-isopropyl-dimethyl-ammonium chloride

Mol. Formula:
C7H16ClNO2

M.W.:
181.66

7 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.56

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.59

DETAILS

ALA151452

Name:
Butyl-carboxymethyl-dimethyl-ammonium chloride

Mol. Formula:
C8H18ClNO2

M.W.:
195.69

7 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA151577

Name:
Carboxymethyl-ethyl-dimethyl-ammonium chloride

Mol. Formula:
C6H14ClNO2

M.W.:
167.64

7 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.17

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.56

DETAILS

ALA149035

Name:
Carboxymethyl-triethyl-ammonium chloride

Mol. Formula:
C8H18ClNO2

M.W.:
195.69

7 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.95

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

N,N,N-trimethylglycinium

Name:
Carboxymethyl-trimethyl-ammonium

Mol. Formula:
C5H12NO2+

M.W.:
118.16

143 activity values

85 unique targets

Type:
Small molecule

AlogP:
-0.22

Polar Surface Area:
37.30

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.51

DETAILS