Compounds

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
164.54

HBA:
14

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2316684

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
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Mol. Formula:
C43H63N3O11

M.W.:
797.99

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
164.54

HBA:
14

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2316683

Name:
(3aR,4R,7R,9R,10R,11R,13R,15S,15aR,E)-10-((2S,3R,4
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Mol. Formula:
C43H61N3O11

M.W.:
795.97

82 activity values

9 unique targets

Type:
Small molecule

AlogP:
5.97

Polar Surface Area:
164.54

HBA:
14

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2316682

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
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Mol. Formula:
C43H59N3O11

M.W.:
793.96

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
164.54

HBA:
14

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2316681

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
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Mol. Formula:
C43H59N3O11

M.W.:
793.96

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
164.54

HBA:
14

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2316680

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
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Mol. Formula:
C43H59N3O11

M.W.:
793.96

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
164.54

HBA:
14

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2316678

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
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Mol. Formula:
C43H59N3O11

M.W.:
793.96

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
164.54

HBA:
14

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2316677

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
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Mol. Formula:
C42H59N3O11

M.W.:
781.94

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
167.44

HBA:
13

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA2316676

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
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Mol. Formula:
C45H60N2O12S

M.W.:
853.04

Type:
Small molecule

AlogP:
6.05

Polar Surface Area:
168.72

HBA:
15

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA2316675

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
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Mol. Formula:
C43H59N3O11S

M.W.:
826.02

Type:
Small molecule

AlogP:
5.88

Polar Surface Area:
164.54

HBA:
15

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA2316674

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
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Mol. Formula:
C38H56N4O11

M.W.:
744.88

Type:
Small molecule

AlogP:
3.55

Polar Surface Area:
177.43

HBA:
15

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2316673

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
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Mol. Formula:
C39H57N3O11

M.W.:
743.90

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
164.54

HBA:
14

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2316672

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
Show More⌵

Mol. Formula:
C39H57N3O11

M.W.:
743.90

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
164.54

HBA:
14

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA2316671

Name:
3-O-Descladinosyl-3-keto-6-O-methylerythromycin A
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Mol. Formula:
C38H56N2O11S

M.W.:
748.94

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
151.65

HBA:
14

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2068726

Name:
GENERIC INORGANIC CATION; 9-((E)-4-{(2S,3R,4R,5S)-
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Cas Number:
104486-81-9

Mol. Formula:
C52H86CaO18

M.W.:
1039.32

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
146.05

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA172791

Name:
7-Fluoro-8-[4-(4-fluoro-benzyl)-piperazin-1-yl]-1-
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Mol. Formula:
C25H22F2N4O3

M.W.:
464.47

Type:
Small molecule

AlogP:
3.39

Polar Surface Area:
78.67

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA170915

Name:
8-Azocan-1-yl-7-fluoro-1-methyl-4-oxo-1,4-dihydro-
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Mol. Formula:
C21H22FN3O3

M.W.:
383.42

Type:
Small molecule

AlogP:
3.69

Polar Surface Area:
75.43

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA353607

Name:
8-Cyclohexylamino-7-fluoro-1-methyl-4-oxo-1,4-dihy
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Mol. Formula:
C20H20FN3O3

M.W.:
369.40

Type:
Small molecule

AlogP:
3.67

Polar Surface Area:
84.22

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA170945

Name:
7-Fluoro-1-methyl-8-[4-(3-methylsulfanylmethyl-phe
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Mol. Formula:
C26H25FN4O3S

M.W.:
492.58