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ALA5206961 Name:
5-((1-butyl-5-nitro-1H-indol-3-yl)methyl)-2-methoxy-N-(4-nitrophenylsulfonyShow More⌵
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)methyl)-N-(4-nitrophenylsulfonShow More⌵
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-methyl-5-nitro-1H-indol-3-ylShow More⌵
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-nitro-1H-indol-3-yl)methShow More⌵
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-methoxy-N-(4-nitrophenylsulfonyShow More⌵
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-methoxy-N-(4-nitrophenylsulfShow More⌵
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-5-nitro-1H-indol-3-yl)metShow More⌵
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
ALA4798379 Name:
N-(2-fluorophenyl)sulfonyl-5-(1H-indol-3-ylmethyl)-2-methoxy-benzamide
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
ALA4794351 Name:
Kolaflavanone
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
ALA4788215 Name:
2-methoxy-5-[(1-methyl-5-nitro-indol-3-yl)methyl]-N-(3-nitrophenyl)sulfonylShow More⌵
Mol. Formula:
C24H20N4O8S
M.W.:
524.51
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
163.68
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4786473 Name:
delta,delta-Bigarcinoic acid
Mol. Formula:
C54H74O8
M.W.:
851.18
Type:
Unknown
AlogP:
14.08
Polar Surface Area:
133.52
HBA:
6
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4786140 Name:
(8E)-4-Geranyl-3,5-dihydroxybenzophenone
Mol. Formula:
C23H26O3
M.W.:
350.46
Type:
Unknown
AlogP:
5.56
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4784715 Name:
(2S,2'S,3R)-5,5',7,7'-tetrahydroxy-2'-(3-hydroxy-4-methoxyphenyl)-2-(4-hydrShow More⌵
Mol. Formula:
C31H24O11
M.W.:
572.52
Type:
Unknown
AlogP:
4.74
Polar Surface Area:
183.21
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4784567 Name:
delta,delta-Bi-O-garcinoic acid
Mol. Formula:
C54H74O8
M.W.:
851.18
Type:
Unknown
AlogP:
14.50
Polar Surface Area:
122.52
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
22
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4779644 Name:
N-(4-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methylindol-3-yl)methyl]benzamidShow More⌵
Mol. Formula:
C24H21FN2O4S
M.W.:
452.51
Type:
Unknown
AlogP:
4.04
Polar Surface Area:
77.40
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4761983 Name:
2-methoxy-5-[(1-methyl-5-nitro-indol-3-yl)methyl]-N-(2-naphthylsulfonyl)benShow More⌵
Mol. Formula:
C28H23N3O6S
M.W.:
529.57
Type:
Unknown
AlogP:
4.96
Polar Surface Area:
120.54
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4761141 Name:
N-(4-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-5-nitro-indol-3-yl)methylShow More⌵
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
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