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ALA1099162 Name:
artobiloxanthone
Mol. Formula:
C25H22O7
M.W.:
434.44
Type:
Small molecule
AlogP:
4.68
Polar Surface Area:
120.36
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA1096733 Name:
Artonin O
Mol. Formula:
C30H30O7
M.W.:
502.56
Type:
Small molecule
AlogP:
5.54
Polar Surface Area:
125.04
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA1096732 Name:
Artoristilbene
Mol. Formula:
C19H16O4
M.W.:
308.33
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
58.92
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA1096731 Name:
Cyclorigidol
Cas Number:
1174017-37-8
Mol. Formula:
C30H32O7
M.W.:
504.58
Type:
Small molecule
AlogP:
6.70
Polar Surface Area:
120.36
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA1096730 Name:
Artorigidin C
Mol. Formula:
C30H28O7
M.W.:
500.55
Type:
Small molecule
AlogP:
6.45
Polar Surface Area:
125.04
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA1094757 Name:
Artorigidin B
Mol. Formula:
C30H32O7
M.W.:
504.58
Type:
Small molecule
AlogP:
6.33
Polar Surface Area:
120.36
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA1094756 Name:
Artorigidin A
Mol. Formula:
C30H32O7
M.W.:
504.58
Type:
Small molecule
AlogP:
6.22
Polar Surface Area:
131.36
HBA:
7
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1603665 Name:
SID11111947
Mol. Formula:
C22H35NO3
M.W.:
361.53
Type:
Small molecule
AlogP:
4.05
Polar Surface Area:
73.58
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4797340 Name:
5-((1R,2S,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethy
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Mol. Formula:
C19H34O3
M.W.:
310.48
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4779223 Name:
(1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-5-((E)-4-hydr
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Mol. Formula:
C19H32O3
M.W.:
308.46
Type:
Unknown
AlogP:
3.06
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA3929895 Name:
US9187397, 9a
Mol. Formula:
C28H26O6
M.W.:
458.51
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
96.22
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA3892642 Name:
US9187397, 1::US9187406, Curcumin::curcumin
Mol. Formula:
C21H20O6
M.W.:
368.39
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA3426659 Name:
(E)-3-(2-((1S,5R,6R,8aR)-6-hydroxy-5-(hydroxymethy
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Mol. Formula:
C19H28O5
M.W.:
336.43
Type:
Small molecule
AlogP:
2.00
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3426658 Name:
(E)-5-(2-((1S,5R,6R,8aR)-6-hydroxy-5-(hydroxymethy
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Mol. Formula:
C18H25NO4S2
M.W.:
383.54
Type:
Small molecule
AlogP:
2.16
Polar Surface Area:
86.63
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2373633 Name:
SID11111670
Mol. Formula:
C36H56O8
M.W.:
616.84
Type:
Small molecule
AlogP:
5.75
Polar Surface Area:
130.36
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA2373603 Name:
SID11110859
Mol. Formula:
C16H24O4
M.W.:
280.36
Type:
Small molecule
AlogP:
2.11
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA2322558 Name:
DL-2-[3'-(3''-tert-Butyl-5'',9''-dimethyl-7''-oxo-
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Mol. Formula:
C29H31NO6
M.W.:
489.57
Type:
Small molecule
AlogP:
5.20
Polar Surface Area:
109.75
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2322557 Name:
4-[2'-(3''-tert-Butyl-5'',9''-dimethyl-7''-oxo-7H-
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Mol. Formula:
C23H27NO6
M.W.:
413.47
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
109.75
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA2322556 Name:
2-(3''-tert-Butyl-5'',9''-dimethyl-7''-oxo-7H-furo
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Mol. Formula:
C26H26ClNO4
M.W.:
451.95
Type:
Small molecule
AlogP:
5.97
Polar Surface Area:
72.45
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA2322555 Name:
4-[2'-(3''-tert-Butyl-5'',9''-dimethyl-7''-oxo-7H-
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Mol. Formula:
C26H25NO6
M.W.:
447.49
Type:
Small molecule
AlogP:
5.33
Polar Surface Area:
109.75
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
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