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ALA4535253 Name:
Withaphysalin C
Mol. Formula:
C28H36O7
M.W.:
484.59
Type:
Unknown
AlogP:
3.49
Polar Surface Area:
102.29
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4534630 Name:
(1R,4aS,10aR)-methyl 6-acetyl-7-isopropyl-1,4a-dim
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Mol. Formula:
C23H32O3
M.W.:
356.51
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4532052 Name:
5-(pentafluoro-lambda6-sulfanyl)-3-(1H-pyrrol-2-yl
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Mol. Formula:
C13H9F5N2OS
M.W.:
336.29
Type:
Unknown
AlogP:
5.16
Polar Surface Area:
44.89
HBA:
1
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4558045 Name:
Withaphysalin X
Mol. Formula:
C28H36O8
M.W.:
500.59
Type:
Unknown
AlogP:
2.46
Polar Surface Area:
122.52
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4570681 Name:
N,N'-(1,3-phenylenebis(methylene))bis(4-nitrobenze
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Mol. Formula:
C20H18N4O8S2
M.W.:
506.52
Type:
Unknown
AlogP:
2.46
Polar Surface Area:
178.62
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4569717 Name:
3-(4-(4-chlorophenyl)-6-(furan-2-yl)pyridin-2-yl)p
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Mol. Formula:
C21H14ClNO2
M.W.:
347.80
Type:
Unknown
AlogP:
6.03
Polar Surface Area:
46.26
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4549448 Name:
3-(4-(4-chlorophenyl)-6-(thiophen-3-yl)pyridin-2-y
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Mol. Formula:
C21H14ClNOS
M.W.:
363.87
Type:
Unknown
AlogP:
6.50
Polar Surface Area:
33.12
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4575112 Name:
3-(4-(2-chlorophenyl)-6-(thiophen-3-yl)pyridin-2-y
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Mol. Formula:
C21H14ClNOS
M.W.:
363.87
Type:
Unknown
AlogP:
6.50
Polar Surface Area:
33.12
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4572793 Name:
3-ene-Withaphysangulidine E
Mol. Formula:
C28H36O7
M.W.:
484.59
Type:
Unknown
AlogP:
2.98
Polar Surface Area:
102.29
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4780758 Name:
5,5'-diallyl-3-(piperidin-1-yl(p-tolyl)methyl)biph
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Mol. Formula:
C31H35NO2
M.W.:
453.63
Type:
Unknown
AlogP:
7.11
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4780465 Name:
5,5'-diallyl-3-((4-bromophenyl)(piperidin-1-yl)met
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Mol. Formula:
C30H32BrNO2
M.W.:
518.50
Type:
Unknown
AlogP:
7.56
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4779961 Name:
3-(Piperidin-l-yl)-phenylmethyl-magnolol
Mol. Formula:
C30H33NO2
M.W.:
439.60
Type:
Unknown
AlogP:
6.80
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4778275 Name:
5,5'-diallyl-3-((3,4-dichlorophenyl)(piperidin-1-y
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Mol. Formula:
C30H31Cl2NO2
M.W.:
508.49
Type:
Unknown
AlogP:
8.10
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4777286 Name:
5,5'-diallyl-3-((4-methoxyphenyl)(piperidin-1-yl)m
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Mol. Formula:
C31H35NO3
M.W.:
469.63
Type:
Unknown
AlogP:
6.81
Polar Surface Area:
52.93
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4777270 Name:
5,5'-diallyl-3-((3-fluorophenyl)(piperidin-1-yl)me
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Mol. Formula:
C30H32FNO2
M.W.:
457.59
Type:
Unknown
AlogP:
6.94
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4776806 Name:
5,5'-diallyl-3-(piperidin-1-yl(2,3,4-trimethoxyphe
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Mol. Formula:
C33H39NO5
M.W.:
529.68
Type:
Unknown
AlogP:
6.82
Polar Surface Area:
71.39
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4590519 Name:
4-(4-(2-chlorophenyl)-6-(furan-2-yl)pyridin-2-yl)p
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Mol. Formula:
C21H14ClNO2
M.W.:
347.80
Type:
Unknown
AlogP:
6.03
Polar Surface Area:
46.26
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4584960 Name:
3-(4-(2-chlorophenyl)-6-phenylpyridin-2-yl)phenol
Mol. Formula:
C23H16ClNO
M.W.:
357.84
Type:
Unknown
AlogP:
6.44
Polar Surface Area:
33.12
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4582361 Name:
(1R,4aS,10aR)-methyl 6-hydroxy-7-isopropyl-1,4a-di
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Mol. Formula:
C21H30O3
M.W.:
330.47
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4784898 Name:
5,5'-diallyl-3-(morpholino(p-tolyl)methyl)biphenyl
Show More⌵
Mol. Formula:
C30H33NO3
M.W.:
455.60
Type:
Unknown
AlogP:
5.95
Polar Surface Area:
52.93
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
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