Compounds

Type:
Small molecule

AlogP:
-3.30

Polar Surface Area:
187.76

HBA:
12

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3590181

Name:
methyl 3,5-bis[2-({3,5-bis[2-(2-{[(2-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hyShow More⌵

Mol. Formula:
C106H162N10O66

M.W.:
2632.47

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3590180

Name:
N-(2-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6RShow More⌵

Mol. Formula:
C73H128N4O48S4

M.W.:
1958.08

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3590179

Name:
(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(meShow More⌵

Mol. Formula:
C21H32O13

M.W.:
492.47

Type:
Small molecule

AlogP:
-2.67

Polar Surface Area:
185.99

HBA:
13

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3590178

Name:
3-[(2R,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-Show More⌵

Mol. Formula:
C26H34N2O12

M.W.:
566.56

Type:
Small molecule

AlogP:
-1.47

Polar Surface Area:
208.66

HBA:
12

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA426566

Name:
Pamam

Mol. Formula:
C214H376N34O124

M.W.:
5409.48

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA268358

Name:
methyl 3,5-bis[2-({3,5-bis[2-(2-{[(3-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hyShow More⌵

Mol. Formula:
C110H170N10O66

M.W.:
2688.57

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA435150

Name:
N-(3-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6RShow More⌵

Mol. Formula:
C50H74N4O28

M.W.:
1179.14

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA222926

Name:
N-(3-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6RShow More⌵

Mol. Formula:
C50H74N4O28

M.W.:
1179.14

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA434575

Name:
methyl 3,5-bis({2-[2-({[3-(2-{2-[3-(2-{[(3-{[(2R,3R,4R,5R,6R)-3,4-dihydroxyShow More⌵

Mol. Formula:
C78H132N8O44

M.W.:
1885.93

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA222761

Name:
3,5-bis-{2-[2-({3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-hydroxymethyl-5-((2R,3RShow More⌵

Mol. Formula:
C50H80N4O32

M.W.:
1249.19

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA373911

Name:
3-{2-[2-({3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-hydroxymethyl-5-((2R,3R,4S,5RShow More⌵

Mol. Formula:
C29H44N2O17

M.W.:
692.67

4 activity values