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ALA5279441 Name:
Ieodoglucomide B
Mol. Formula:
C29H51NO12
M.W.:
605.72
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Type:
---
AlogP:
2.13
Polar Surface Area:
209.15
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4756324 Name:
1-(4-(4-methylpiperazine-1-carbonyl)phenyl)-3-(4-(6-((4-(methylsulfonyl)pipShow More⌵
Mol. Formula:
C35H44N10O5S
M.W.:
716.87
Type:
Unknown
AlogP:
2.34
Polar Surface Area:
147.96
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4756074 Name:
1-(4-fluorophenyl)-3-(4-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morShow More⌵
Mol. Formula:
C29H33FN8O4S
M.W.:
608.70
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
124.41
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4578595 Name:
2,3-dihydro-2,3-epoxy-2-propylsulfonyl-5,8-dimethoxy-1,4-naphthoquinone
Mol. Formula:
C15H16O7S
M.W.:
340.35
Type:
Unknown
AlogP:
1.00
Polar Surface Area:
99.27
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4532449 Name:
(S)-N-((S)-1-((S)-1-((S)-2-((tert-Butyldiphenylsilyloxy)methyl)-oxiran-2-ylShow More⌵
Mol. Formula:
C56H75N5O8Si
M.W.:
974.33
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4483448 Name:
3-(5-Hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)-N-(4-methoxyphenyl)benzamShow More⌵
Mol. Formula:
C25H21NO7
M.W.:
447.44
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
107.23
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4474639 Name:
N-(3-(5-Hydroxy-6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl)benzo[d][1,3]diShow More⌵
Mol. Formula:
C25H19NO8
M.W.:
461.43
Type:
Unknown
AlogP:
4.16
Polar Surface Area:
116.46
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4471682 Name:
4-Methoxy-N-(3-(5-Hydroxy-6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl)benzaShow More⌵
Mol. Formula:
C25H21NO7
M.W.:
447.44
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
107.23
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4461169 Name:
(+/-)-2,3,4,7-tetrahydroxy-1,3,4,4a,5,9,10,12b-octahydro[1,4]dioxino[2,3-j]Show More⌵
Mol. Formula:
C15H17NO7
M.W.:
323.30
Type:
Unknown
AlogP:
-1.15
Polar Surface Area:
128.48
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4460652 Name:
3-Methoxy-N-(3-(5-Hydroxy-6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl)benzaShow More⌵
Mol. Formula:
C25H21NO7
M.W.:
447.44
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
107.23
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4459808 Name:
N-((S)-3-hydroxy-1-((S)-1-((S)-2-(((2-methoxyethoxy)methoxy)methyl)oxiran-2Show More⌵
Mol. Formula:
C23H42N2O8
M.W.:
474.60
Type:
Unknown
AlogP:
0.94
Polar Surface Area:
135.72
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4459553 Name:
3-(5-Hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)-N-(3,4-methylenedioxyphenShow More⌵
Mol. Formula:
C25H19NO8
M.W.:
461.43
Type:
Unknown
AlogP:
4.16
Polar Surface Area:
116.46
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4458542 Name:
3-(5-Hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)-N-(3-methoxyphenyl)benzamShow More⌵
Mol. Formula:
C25H21NO7
M.W.:
447.44
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
107.23
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4451741 Name:
(S)-N-((S)-1-((S)-1-((R)-2-(Hydroxymethyl)oxiran-2-yl)-4-methyl-1-oxopentanShow More⌵
Mol. Formula:
C40H57N5O8
M.W.:
735.92
Type:
Unknown
AlogP:
1.56
Polar Surface Area:
178.70
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4449204 Name:
((S)-2-((2S,5S,8S,11S)-5-benzyl-2,8-diisobutyl-14-morpholino-4,7,10,13-tetrShow More⌵
Mol. Formula:
C41H59N5O10S
M.W.:
814.01
Type:
Unknown
AlogP:
1.54
Polar Surface Area:
201.84
HBA:
11
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4448471 Name:
3-(5-Hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)-N-(3,4,5-trimethoxyphenylShow More⌵
Mol. Formula:
C27H25NO9
M.W.:
507.50
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
125.69
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4447840 Name:
N-((S)-1-((S)-1-((R)-2-(Hydroxymethyl)oxiran-2-yl)-4-methyl-1-oxopentan-2-yShow More⌵
Mol. Formula:
C19H34N2O5
M.W.:
370.49
Type:
Unknown
AlogP:
1.32
Polar Surface Area:
108.03
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4439464 Name:
2-Methoxy-N-(3-(5-Hydroxy-6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl)benzaShow More⌵
Mol. Formula:
C25H21NO7
M.W.:
447.44
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
107.23
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4435598 Name:
2,3-dihydro-2,3-epoxy-2-nonylsulfonyl-5,8-dimethoxy-1,4-naphthoquinone
Mol. Formula:
C21H28O7S
M.W.:
424.52
Type:
Unknown
AlogP:
3.34
Polar Surface Area:
99.27
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4299158 Name:
SID496063
Mol. Formula:
C45H42Cl2O6Si
M.W.:
777.82
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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