Compounds

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1916373

Name:
(2R,4S,5R,6R)-5-acetamido-2-(7,47-dioxo-10,13,16,1
Show More⌵

Mol. Formula:
C68H123N3O23

M.W.:
1350.73

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1916372

Name:
6,19-Diaza-10,13,16-trioxa-7,20-dioxo-29,31-tetrat
Show More⌵

Mol. Formula:
C50H87N3O14

M.W.:
954.25

Type:
Small molecule

AlogP:
4.43

Polar Surface Area:
251.67

HBA:
13

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
42

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA1916371

Name:
6,25-Diaza-10,13,16,19,22-pentaoxa-7,26-dioxononat
Show More⌵

Mol. Formula:
C53H101N3O16

M.W.:
1036.40

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1916370

Name:
6,25-Diaza-10,13,16,19,22-pentaoxa-7,26-dioxotrite
Show More⌵

Mol. Formula:
C47H89N3O16

M.W.:
952.23

Type:
Small molecule

AlogP:
3.29

Polar Surface Area:
270.13

HBA:
15

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
46

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA496421

Name:
N-glycolylneuraminic acid

Cas Number:
1113-83-3

Mol. Formula:
C11H19NO10

M.W.:
325.27

Type:
Small molecule

AlogP:
-4.90

Polar Surface Area:
197.01

HBA:
9

HBD:
8

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA522057

Name:
O-Methyl-5-N-tert-butoxycarbonyl-3,5-dideoxy-D-gly
Show More⌵

Mol. Formula:
C15H27NO10

M.W.:
381.38

Type:
Small molecule

AlogP:
-1.83

Polar Surface Area:
175.01

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA496223

Name:
O-Methyl-5-N-(3-methylureido)-3,5-dideoxy-D-glycer
Show More⌵

Mol. Formula:
C12H22N2O9

M.W.:
338.31

Type:
Small molecule

AlogP:
-3.42

Polar Surface Area:
177.81

HBA:
8

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA496420

Name:
O-Methyl-5-N-methoxycarbonyl-3,5-dideoxy-D-glycero
Show More⌵

Mol. Formula:
C12H21NO10

M.W.:
339.30

Type:
Small molecule

AlogP:
-3.00

Polar Surface Area:
175.01

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA496419

Name:
O-Methyl-5-N-benzoyl-3,5-dideoxy-D-glycero-alpha-D
Show More⌵

Mol. Formula:
C17H23NO9

M.W.:
385.37

Type:
Small molecule

AlogP:
-1.92

Polar Surface Area:
165.78

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA524074

Name:
O-Methyl-5-N-pentanoyl-3,5-dideoxy-D-glycero-alpha
Show More⌵

Mol. Formula:
C15H27NO9

M.W.:
365.38

Type:
Small molecule

AlogP:
-2.05

Polar Surface Area:
165.78

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA497016

Name:
O-Methyl-5-N-isobutanoyl-3,5-dideoxy-D-glycero-alp
Show More⌵

Mol. Formula:
C14H25NO9

M.W.:
351.35

Type:
Small molecule

AlogP:
-2.58

Polar Surface Area:
165.78

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA497015

Name:
O-Methyl-5-N-butanoyl-3,5-dideoxy-D-glycero-alpha-
Show More⌵

Mol. Formula:
C14H25NO9

M.W.:
351.35

Type:
Small molecule

AlogP:
-2.44

Polar Surface Area:
165.78

HBA:
8

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA444218

Name:
O-Methyl-5-N-propaonyl-3,5-dideoxy-D-glycero-alpha
Show More⌵

Mol. Formula:
C13H23NO9

M.W.:
337.33