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ALA5287605 Name:
Clonoamide
Mol. Formula:
C15H25NO2
M.W.:
251.37
Type:
---
AlogP:
3.16
Polar Surface Area:
46.17
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5285975 Name:
Mol. Formula:
C37H51NO9
M.W.:
653.81
Type:
---
AlogP:
3.42
Polar Surface Area:
145.70
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5284960 Name:
1-(3-((2s,5s)-2-(4,5-diphenyl-1H-imidazol-2-yl)-1,
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Mol. Formula:
C27H30N4O2
M.W.:
442.56
Type:
---
AlogP:
5.70
Polar Surface Area:
64.96
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5284543 Name:
trans-1-(4-(2-(4,5-diphenyl-1H-imidazol-2-yl)-1,3-
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Mol. Formula:
C28H32N4O2
M.W.:
456.59
Type:
---
AlogP:
6.09
Polar Surface Area:
64.96
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5284134 Name:
1-(2-(2,6-dihydroxy-3-(3-methylbut-2-enyl)benzoyl)
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Mol. Formula:
C23H26O5
M.W.:
382.46
Type:
---
AlogP:
4.69
Polar Surface Area:
94.83
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5283833 Name:
Voluhemin A
Mol. Formula:
C37H51NO8
M.W.:
637.81
Type:
---
AlogP:
4.45
Polar Surface Area:
125.47
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5280709 Name:
Voluhemin B
Mol. Formula:
C38H53NO8
M.W.:
651.84
Type:
---
AlogP:
5.10
Polar Surface Area:
114.47
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA1098073 Name:
1-((1,3,6,7-Tetramethoxyxanthone-4-yl)-sulfonyl)-4
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Mol. Formula:
C28H30N2O8S
M.W.:
554.62
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
107.75
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA1098072 Name:
1-((1,3,6,7-Tetramethoxyxanthone-4-yl)-sulfonyl)-4
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Mol. Formula:
C28H30N2O9S
M.W.:
570.62
Type:
Small molecule
AlogP:
3.50
Polar Surface Area:
116.98
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA1094099 Name:
N-(3-chlorobenzyl)-(1,3,6,7-Tetramethoxyxanthone-4
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Mol. Formula:
C24H22ClNO8S
M.W.:
519.96
Type:
Small molecule
AlogP:
4.11
Polar Surface Area:
113.30
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1095086 Name:
N-(2-naphthyl)-methyl-(1,3,6,7-Tetramethoxyxanthon
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Mol. Formula:
C28H25NO8S
M.W.:
535.57
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
113.30
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA1096716 Name:
N-(4-fluorobenzyl)-(1,3,6,7-Tetramethoxyxanthone-4
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Mol. Formula:
C24H22FNO8S
M.W.:
503.50
Type:
Small molecule
AlogP:
3.60
Polar Surface Area:
113.30
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA1096715 Name:
4-((1,3,6,7-Tetramethoxyxanthone-4-yl)-sulfonyl)-(
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Mol. Formula:
C23H27NO9S
M.W.:
493.53
Type:
Small molecule
AlogP:
2.78
Polar Surface Area:
113.74
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA1096392 Name:
1-((1,3,6,7-Tetramethoxyxanthone-4-yl)-sulfonyl)-3
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Mol. Formula:
C23H28N2O8S
M.W.:
492.55
Type:
Small molecule
AlogP:
2.31
Polar Surface Area:
107.75
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA1097386 Name:
1-((1,3,6,7-Tetramethoxyxanthone-4-yl)-sulfonyl)-4
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Mol. Formula:
C22H26N2O8S
M.W.:
478.52
Type:
Small molecule
AlogP:
1.92
Polar Surface Area:
107.75
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1097385 Name:
1-((1,3,6,7-Tetramethoxyxanthone-4-yl)-sulfonyl)-3
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Mol. Formula:
C27H34N2O9S
M.W.:
562.64
Type:
Small molecule
AlogP:
3.25
Polar Surface Area:
124.82
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA1098394 Name:
1-((1,3,6,7-Tetramethoxyxanthone-4-yl)-sulfonyl)-3
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Mol. Formula:
C25H29NO10S
M.W.:
535.57
Type:
Small molecule
AlogP:
2.94
Polar Surface Area:
130.81
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1098393 Name:
1-((1,3,6,7-Tetramethoxyxanthone-4-yl)-sulfonyl)-p
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Mol. Formula:
C22H25NO8S
M.W.:
463.51
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
104.51
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1094082 Name:
N-propyl-(1,3,6,7-Tetramethoxyxanthone-4-yl)-sulfo
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Mol. Formula:
C20H23NO8S
M.W.:
437.47
Type:
Small molecule
AlogP:
2.67
Polar Surface Area:
113.30
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1094081 Name:
N-cyclopropyl-(1,3,6,7-Tetramethoxyxanthone-4-yl)-
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Mol. Formula:
C20H21NO8S
M.W.:
435.45
Type:
Small molecule
AlogP:
2.42
Polar Surface Area:
113.30
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
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