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ALA4848488 Name:
NA
Mol. Formula:
C33H30N2O10
M.W.:
614.61
Type:
Unknown
AlogP:
3.91
Polar Surface Area:
143.64
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA5291131 Name:
Ustilagomaydisin A
Mol. Formula:
C32H57N5O
M.W.:
527.84
Type:
---
AlogP:
9.53
Polar Surface Area:
86.69
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
25
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4098451 Name:
4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
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Mol. Formula:
C39H42N4O17S
M.W.:
870.84
Type:
Small molecule
AlogP:
2.24
Polar Surface Area:
237.10
HBA:
20
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4097213 Name:
4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
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Mol. Formula:
C38H39N3O18S
M.W.:
857.80
Type:
Small molecule
AlogP:
2.33
Polar Surface Area:
243.09
HBA:
20
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4104403 Name:
7,7'-dimethoxy-5'-(methoxycarbonyl)-4,4'-bibenzo[d
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Cas Number:
205117-47-1
Mol. Formula:
C19H16O10
M.W.:
404.33
Type:
Small molecule
AlogP:
2.31
Polar Surface Area:
118.98
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4102336 Name:
2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
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Mol. Formula:
C29H30FN5O4
M.W.:
531.59
Type:
Small molecule
AlogP:
4.32
Polar Surface Area:
90.74
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4101419 Name:
2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
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Mol. Formula:
C32H37N5O7
M.W.:
603.68
Type:
Small molecule
AlogP:
4.21
Polar Surface Area:
118.43
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4100840 Name:
2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
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Mol. Formula:
C30H33N5O5
M.W.:
543.62
Type:
Small molecule
AlogP:
4.19
Polar Surface Area:
99.97
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4094434 Name:
{N-(2-One-2-[4-(3-phenylsulfonyl-1,2,5-oxadiazole-
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Mol. Formula:
C26H29N3O8S
M.W.:
543.60
Type:
Small molecule
AlogP:
2.93
Polar Surface Area:
138.13
HBA:
11
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4093700 Name:
2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
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Mol. Formula:
C30H33N5O4
M.W.:
527.63
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
90.74
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4092147 Name:
N-(4-Chlorophenyl)-2-((1-(2-(6,7-dimethoxy-3,4-dih
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Mol. Formula:
C29H30ClN5O4
M.W.:
548.04
Type:
Small molecule
AlogP:
4.84
Polar Surface Area:
90.74
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4090729 Name:
4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
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Mol. Formula:
C38H39N3O16S
M.W.:
825.80
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
219.81
HBA:
19
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4087068 Name:
4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
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Mol. Formula:
C37H37N3O17S
M.W.:
827.77
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
233.86
HBA:
19
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4085950 Name:
2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
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Mol. Formula:
C29H30N6O6
M.W.:
558.60
Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
133.88
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4074079 Name:
2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
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Mol. Formula:
C30H33N5O4
M.W.:
527.63
Type:
Small molecule
AlogP:
4.49
Polar Surface Area:
90.74
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4073000 Name:
N-(3-Chlorophenyl)-2-((1-(2-(6,7-dimethoxy-3,4-dih
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Mol. Formula:
C29H30ClN5O4
M.W.:
548.04
Type:
Small molecule
AlogP:
4.84
Polar Surface Area:
90.74
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4072443 Name:
4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
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Mol. Formula:
C37H39N5O16S
M.W.:
841.80
Type:
Small molecule
AlogP:
1.04
Polar Surface Area:
239.90
HBA:
19
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4071419 Name:
4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
Show More⌵
Mol. Formula:
C39H42N4O18S
M.W.:
886.84
Type:
Small molecule
AlogP:
1.48
Polar Surface Area:
246.33
HBA:
21
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4071352 Name:
2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
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Mol. Formula:
C30H33N5O5
M.W.:
543.62
Type:
Small molecule
AlogP:
4.19
Polar Surface Area:
99.97
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4062778 Name:
4,4-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methoxy
Show More⌵
Mol. Formula:
C40H44N4O17S
M.W.:
884.87
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
237.10
HBA:
20
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
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