Compounds

Type:
Unknown

AlogP:
2.38

Polar Surface Area:
100.98

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4580984

Name:
(Z)-3-(3-((3-(2-Ethoxy-2-oxoethyl)-2,4-dioxothiazo
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Mol. Formula:
C17H17NO7S

M.W.:
379.39

4 activity values

Type:
Unknown

AlogP:
2.01

Polar Surface Area:
121.21

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3983719

Name:
(2S)-3-((4-Fluorophenyl)sulfonamido)aspartic Acid

Mol. Formula:
C10H11FN2O6S

M.W.:
306.27

Type:
Small molecule

AlogP:
-1.03

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3975687

Name:
(2S)-3-((4-Bromophenyl)sulfonamido)aspartic Acid

Mol. Formula:
C10H11BrN2O6S

M.W.:
367.18

Type:
Small molecule

AlogP:
-0.41

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3974720

Name:
(2S)-3-((4-Methylphenyl)sulfonamido)aspartic Acid

Mol. Formula:
C11H14N2O6S

M.W.:
302.31

Type:
Small molecule

AlogP:
-0.86

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3967211

Name:
(2S)-3-(Naphthalene-1-sulfonamido)aspartic Acid

Mol. Formula:
C14H14N2O6S

M.W.:
338.34

11 activity values

Type:
Small molecule

AlogP:
-0.02

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3960774

Name:
(2S)-3-((4-Chlorophenyl)sulfonamido)aspartic Acid

Mol. Formula:
C10H11ClN2O6S

M.W.:
322.73

Type:
Small molecule

AlogP:
-0.52

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3955070

Name:
(2S)-3-((Perfluorophenyl)sulfonamido)aspartic Acid

Mol. Formula:
C10H7F5N2O6S

M.W.:
378.23

14 activity values

4 unique targets

Type:
Small molecule

AlogP:
-0.47

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3950379

Name:
(2S)-3-((3-Chlorophenyl)sulfonamido)aspartic Acid

Mol. Formula:
C10H11ClN2O6S

M.W.:
322.73

Type:
Small molecule

AlogP:
-0.52

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3947455

Name:
(2S)-3-((3-Carboxyphenyl)sulfonamido)aspartic Acid

Mol. Formula:
C11H12N2O8S

M.W.:
332.29

Type:
Small molecule

AlogP:
-1.47

Polar Surface Area:
184.09

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA3939524

Name:
(3S)-2-([1,1'-Biphenyl]-4-sulfonamido)-3-aminoaspa
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Mol. Formula:
C16H16N2O6S

M.W.:
364.38

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
0.50

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA3938810

Name:
(2S)-3-((2-Methylphenyl)sulfonamido)aspartic Acid

Mol. Formula:
C11H14N2O6S

M.W.:
302.31

Type:
Small molecule

AlogP:
-0.86

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3937517

Name:
(2S,3S)-3-(Phenylsulfonamido)aspartic Acid

Mol. Formula:
C10H12N2O6S

M.W.:
288.28

Type:
Small molecule

AlogP:
-1.17

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3928498

Name:
(2S)-3-(Naphthalene-2-sulfonamido)aspartic Acid

Mol. Formula:
C14H14N2O6S

M.W.:
338.34

Type:
Small molecule

AlogP:
-0.02

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3920488

Name:
(3S)-2-((4-Acetylphenyl)sulfonamido)-3-aminoaspart
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Mol. Formula:
C12H14N2O7S

M.W.:
330.32

Type:
Small molecule

AlogP:
-0.97

Polar Surface Area:
163.86

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3920012

Name:
(2S)-3-((2-Chlorophenyl)sulfonamido)aspartic Acid

Mol. Formula:
C10H11ClN2O6S

M.W.:
322.73

Type:
Small molecule

AlogP:
-0.52

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3911432

Name:
(2S,3R)-3-(Phenylsulfonamido)aspartic Acid

Mol. Formula:
C10H12N2O6S

M.W.:
288.28

Type:
Small molecule

AlogP:
-1.17

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA3894651

Name:
(2S)-3-((3-(Trifluoromethyl)phenyl)sulfonamido)asp
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Mol. Formula:
C11H11F3N2O6S

M.W.:
356.28

12 activity values

Type:
Small molecule

AlogP:
-0.15

Polar Surface Area:
146.79

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3121411

Name:
(+/-)-3-(((S*)-5-((S*)-Amino(carboxy)methyl)-3-hyd
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Mol. Formula:
C13H15N3O5

M.W.:
293.28

Type:
Small molecule

AlogP:
0.24

Polar Surface Area:
136.45

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA3121410

Name:
(+/-)-(S*)-2-Amino-2-((S*)-1-(biphenyl-4-ylmethyl)
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Mol. Formula:
C18H19N3O3

M.W.:
325.37