Compounds

Type:
Unknown

AlogP:
1.46

Polar Surface Area:
116.53

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4590343

Name:
rac-((3,5-Difluorophenyl)((2-(hydroxy(methyl)amino)-2-oxoethyl)thio)methyl)Show More⌵

Mol. Formula:
C10H12F2NO5PS

M.W.:
327.24

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
98.07

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4578312

Name:
(((2-(Hydroxyamino)-2-oxoethyl)sulfonyl)(p-tolyl)methyl)phosphonic acid

Mol. Formula:
C10H14NO7PS

M.W.:
323.26

5 activity values

5 unique targets

Type:
Unknown

AlogP:
0.09

Polar Surface Area:
141.00

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4572338

Name:
(((2-(Hydroxy(methyl)amino)-2-oxoethyl)sulfonyl)(naphthalen-1-yl)methyl)phoShow More⌵

Mol. Formula:
C14H16NO7PS

M.W.:
373.32

Type:
Unknown

AlogP:
1.28

Polar Surface Area:
132.21

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4567904

Name:
rac-((3,5-Difluorophenyl)((2-(hydroxyamino)-2-oxoethyl)thio)methyl)phosphonShow More⌵

Mol. Formula:
C9H10F2NO5PS

M.W.:
313.22

Type:
Unknown

AlogP:
1.38

Polar Surface Area:
106.86

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4564404

Name:
((3,4-Dichlorophenyl)((2-(hydroxy(methyl)amino)-2-oxoethyl)sulfonyl)methyl)Show More⌵

Mol. Formula:
C10H12Cl2NO7PS

M.W.:
392.15

Type:
Unknown

AlogP:
1.43

Polar Surface Area:
132.21

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4545211

Name:
(((2-(Hydroxy(methyl)amino)-2-oxoethyl)sulfonyl)(p-tolyl)methyl)phosphonic Show More⌵

Mol. Formula:
C11H16NO7PS

M.W.:
337.29

Type:
Unknown

AlogP:
0.43

Polar Surface Area:
132.21

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4544750

Name:
rac-((3,5-Dimethoxyphenyl)((2-(hydroxyamino)-2-oxoethyl)thio)methyl)phosphoShow More⌵

Mol. Formula:
C11H16NO7PS

M.W.:
337.29

Type:
Unknown

AlogP:
1.12

Polar Surface Area:
125.32

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4474216

Name:
rac-(((2-(Hydroxy(methyl)amino)-2-oxoethyl)thio)(4-(methylthio)phenyl)methyShow More⌵

Mol. Formula:
C10H14NO5PS2

M.W.:
323.33

16 activity values

12 unique targets

Type:
Unknown

AlogP:
1.82

Polar Surface Area:
106.86

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4462089

Name:
((3,5-Difluorophenyl)((2-(hydroxy(methyl)amino)-2-oxoethyl)sulfonyl)methyl)Show More⌵

Mol. Formula:
C10H12F2NO7PS

M.W.:
359.24

Type:
Unknown

AlogP:
0.40

Polar Surface Area:
132.21

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4458458

Name:
((3,5-Dimethoxyphenyl)((2-(hydroxy(methyl)amino)-2-oxoethyl)sulfonyl)methylShow More⌵

Mol. Formula:
C12H18NO9PS

M.W.:
383.32

5 activity values

5 unique targets

Type:
Unknown

AlogP:
0.14

Polar Surface Area:
150.67

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4452553

Name:
(((2-(Hydroxy(methyl)amino)-2-oxoethyl)sulfonyl)(phenyl)methyl)phosphonic aShow More⌵

Mol. Formula:
C10H14NO7PS

M.W.:
323.26

5 activity values

5 unique targets

Type:
Unknown

AlogP:
0.13

Polar Surface Area:
132.21

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4447571

Name:
rac-(((2-(Hydroxyamino)-2-oxoethyl)thio)(p-tolyl)methyl)phosphonic acid

Mol. Formula:
C10H14NO5PS

M.W.:
291.26

Type:
Unknown

AlogP:
1.41

Polar Surface Area:
106.86

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4437978

Name:
((3,5-Dimethoxyphenyl)((2-(hydroxyamino)-2-oxoethyl)sulfonyl)methyl)phosphoShow More⌵

Mol. Formula:
C11H16NO9PS

M.W.:
369.29