Compounds

2 unique targets

Type:
Unknown

AlogP:
2.09

Polar Surface Area:
50.19

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA5084875

Name:
2-chloro-6-methyl-pyridine-4-carboxylic acid

Cas Number:
25462-85-5

Mol. Formula:
C7H6ClNO2

M.W.:
171.58

2 unique targets

Type:
Unknown

AlogP:
1.74

Polar Surface Area:
50.19

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA5080678

Name:
1-chloro-3-methylsulfinyl-6,7-dihydro-5H-2-benzoth
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Cas Number:
957942-34-6

Mol. Formula:
C9H9ClO2S2

M.W.:
248.76

2 unique targets

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
40.13

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.72

DETAILS

ALA5079864

Name:
Valoneic acid dilactone

Cas Number:
60202-70-2

Mol. Formula:
C21H10O13

M.W.:
470.30

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
228.33

HBA:
12

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3817920

Name:
[(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-4-[[(2R,3S,4R,5R)
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Mol. Formula:
C40H49FN17O23P3

M.W.:
1247.85

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3818137

Name:
[(2R,3R,4R,5R)-4-[[(2R,3R,4R,5R)-4-[[(2R,3S,4R,5R)
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Mol. Formula:
C40H50N17O24P3

M.W.:
1245.86

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3818726

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

Mol. Formula:
C41H51N20O22P3

M.W.:
1268.90

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3818262

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

Mol. Formula:
C40H50N17O24P3

M.W.:
1245.86

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3819183

Name:
((2R,3R,4R,5R)-4-((((2R,3R,4R,5R)-4-((((2R,3R,4R,5
Show More⌵

Mol. Formula:
C40H51N17O27P4

M.W.:
1325.84

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3819262

Name:
((2R,3R,4R,5R)-4-((((2R,3R,4R,5R)-5-(6-amino-9H-pu
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Mol. Formula:
C39H49N17O27P4

M.W.:
1311.81

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3143836

Name:
Peptide nucleic acid derivative

Mol. Formula:
C76H105N29O33P2

M.W.:
2014.79

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3143835

Name:
Peptide nucleic acid derivative

Mol. Formula:
C107H143N44O51P5

M.W.:
3016.45

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3143834

Name:
Peptide nucleic acid derivative

Mol. Formula:
C87H119N34O39P3

M.W.:
2358.03

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2414867

Name:
((2R,3R,4R,5R)-5-(6-amino-7H-purin-7-yl)-4-((((2R,
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Mol. Formula:
C40H52N20O31P6

M.W.:
1494.81

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2414865

Name:
((2R,3R,4R,5R)-5-(6-amino-7H-purin-7-yl)-4-((((2R,
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Mol. Formula:
C64H92N20O39P6

M.W.:
1951.39

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2059858

Name:
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-(((((2
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Mol. Formula:
C43H56N20O25P4

M.W.:
1376.93

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2059857

Name:
(((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-(((((2
Show More⌵

Mol. Formula:
C43H56N20O25P4

M.W.:
1376.93

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2059856

Name:
(((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-(((((2
Show More⌵

Mol. Formula:
C43H56N20O25P4

M.W.:
1376.93

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2059855

Name:
((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-((((2R,
Show More⌵

Mol. Formula:
C42H54N20O25P4

M.W.:
1362.91

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2059854

Name:
((2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-((((2R,
Show More⌵

Mol. Formula:
C42H54N20O25P4

M.W.:
1362.91