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ALA4546645 Name:
4,5-bis(4-fluorophenyl)-2-(((4-(4-(4-fluorophenyl)
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Mol. Formula:
C30H19F3N4O3S
M.W.:
572.57
Type:
Unknown
AlogP:
6.65
Polar Surface Area:
90.88
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4756542 Name:
N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-
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Mol. Formula:
C24H20FN3O6S
M.W.:
497.50
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
120.54
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4541119 Name:
2-(((4-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)p
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Mol. Formula:
C30H21FN4O2S
M.W.:
520.59
Type:
Unknown
AlogP:
6.70
Polar Surface Area:
79.80
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5206961 Name:
5-((1-butyl-5-nitro-1H-indol-3-yl)methyl)-2-methox
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Mol. Formula:
C27H26N4O8S
M.W.:
566.59
Type:
---
AlogP:
4.98
Polar Surface Area:
163.68
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5205318 Name:
2-methoxy-5-((5-nitro-1-propyl-1H-indol-3-yl)methy
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Mol. Formula:
C26H24N4O8S
M.W.:
552.57
Type:
---
AlogP:
4.59
Polar Surface Area:
163.68
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5203389 Name:
N-(2,6-difluorophenylsulfonyl)-2-methoxy-5-((1-met
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Mol. Formula:
C24H19F2N3O6S
M.W.:
515.49
Type:
---
AlogP:
4.08
Polar Surface Area:
120.54
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5202738 Name:
N-(2-bromophenylsulfonyl)-2-methoxy-5-((1-methyl-5
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Mol. Formula:
C24H20BrN3O6S
M.W.:
558.41
Type:
---
AlogP:
4.57
Polar Surface Area:
120.54
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5194419 Name:
5-((1-ethyl-5-nitro-1H-indol-3-yl)methyl)-2-methox
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Mol. Formula:
C25H22N4O8S
M.W.:
538.54
Type:
---
AlogP:
4.20
Polar Surface Area:
163.68
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5185645 Name:
5-((1-isobutyl-5-nitro-1H-indol-3-yl)methyl)-2-met
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Mol. Formula:
C27H26N4O8S
M.W.:
566.59
Type:
---
AlogP:
4.83
Polar Surface Area:
163.68
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5181806 Name:
Mol. Formula:
C20H14N2O7
M.W.:
394.34
Type:
---
AlogP:
2.72
Polar Surface Area:
109.16
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5176274 Name:
N-(2-chlorophenylsulfonyl)-2-methoxy-5-((1-methyl-
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Mol. Formula:
C24H20ClN3O6S
M.W.:
513.96
Type:
---
AlogP:
4.46
Polar Surface Area:
120.54
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5170709 Name:
Mol. Formula:
C20H16N2O8
M.W.:
412.35
Type:
---
AlogP:
2.71
Polar Surface Area:
118.39
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4754614 Name:
N-(4-fluorophenyl)sulfonyl-5-(1H-indol-3-ylmethyl)
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Mol. Formula:
C23H19FN2O4S
M.W.:
438.48
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
88.26
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4752352 Name:
2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(4-nitr
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Mol. Formula:
C24H21N3O6S
M.W.:
479.51
Type:
Unknown
AlogP:
3.80
Polar Surface Area:
120.54
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4794351 Name:
Kolaflavanone
Cas Number:
68705-66-8
Mol. Formula:
C31H24O12
M.W.:
588.52
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
203.44
HBA:
12
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4792638 Name:
gamma,delta-Bi-O-garcinoic acid
Mol. Formula:
C55H76O8
M.W.:
865.20
Type:
Unknown
AlogP:
14.81
Polar Surface Area:
122.52
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4559650 Name:
2-(((4-(4-(4-pentylphenyl)-1H-1,2,3-triazol-1-yl)p
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Mol. Formula:
C35H32N4O3S
M.W.:
588.73
Type:
Unknown
AlogP:
7.96
Polar Surface Area:
90.88
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4557444 Name:
6-(1-(2-(4,5-diphenyloxazol-2-yl)phenyl)-1H-1,2,3-
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Mol. Formula:
C38H25F2N9O
M.W.:
661.68
Type:
Unknown
AlogP:
8.87
Polar Surface Area:
119.47
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4557303 Name:
6-(1-(3-(4,5-bis(4-methoxyphenyl)oxazol-2-yl)pheny
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Mol. Formula:
C36H39N9O3
M.W.:
645.77
Type:
Unknown
AlogP:
6.82
Polar Surface Area:
120.35
HBA:
12
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4556582 Name:
6-(1-(4-(4,5-bis(4-chlorophenyl)oxazol-2-yl)phenyl
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Mol. Formula:
C38H23Cl2F2N9O
M.W.:
730.57
Type:
Unknown
AlogP:
10.18
Polar Surface Area:
119.47
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
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