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ALA4513945 Name:
(1R,2R,4aS,5R,8aS)-5-(3-(4-fluorophenyl)allyl)-1-(
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Mol. Formula:
C23H31FO2
M.W.:
358.50
Type:
Unknown
AlogP:
4.97
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4513350 Name:
NA
Mol. Formula:
C28H34O9
M.W.:
514.57
Type:
Unknown
AlogP:
2.57
Polar Surface Area:
135.66
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4513272 Name:
(Z)-5-(1-(3,4-Dimethoxyphenyl)-2-(3,4,5-trimethoxy
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Mol. Formula:
C20H22N4O5
M.W.:
398.42
Type:
Unknown
AlogP:
2.83
Polar Surface Area:
100.61
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4476636 Name:
3-(3-(allyloxy)-4-(3-(4-methoxy-3-nitrophenyl)-3-o
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Mol. Formula:
C31H31N3O9
M.W.:
589.60
Type:
Unknown
AlogP:
5.65
Polar Surface Area:
147.49
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
Type:
Unknown
AlogP:
2.71
Polar Surface Area:
109.36
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4475134 Name:
4,4'-dihydroxytolan
Cas Number:
22608-45-3
Mol. Formula:
C14H10O2
M.W.:
210.23
Type:
Unknown
AlogP:
2.50
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.66
DETAILS
CLOSE
ALA4540096 Name:
6-Hydroxy-N-(3-methoxyphenethyl)-4-oxo-1,3-dipheny
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Mol. Formula:
C26H23N3O4S
M.W.:
473.55
Type:
Unknown
AlogP:
4.04
Polar Surface Area:
85.49
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4537358 Name:
NA
Mol. Formula:
C19H14FN5O2
M.W.:
363.35
Type:
Unknown
AlogP:
2.39
Polar Surface Area:
92.67
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4536518 Name:
NA
Mol. Formula:
C25H25N7O5
M.W.:
503.52
Type:
Unknown
AlogP:
1.59
Polar Surface Area:
123.74
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4525002 Name:
1-Phenyl-4-(4-(2-((5,6,7,8-tetrahydronaphthalen-1-
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Mol. Formula:
C29H36Cl2N2O
M.W.:
499.53
Type:
Unknown
AlogP:
5.51
Polar Surface Area:
15.71
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4534752 Name:
3-[(1-benzyltriazol-4-yl)methyl]-5-(p-tolyl)-1,3,4
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Mol. Formula:
C19H17N5O2
M.W.:
347.38
Type:
Unknown
AlogP:
2.50
Polar Surface Area:
78.74
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4534162 Name:
4-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethy
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Mol. Formula:
C19H27NO4S
M.W.:
365.50
Type:
Unknown
AlogP:
2.99
Polar Surface Area:
86.63
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4533819 Name:
5-(1-(3,5-dimethoxybenzyl)-1H-indazol-6-yl)-1-meth
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Mol. Formula:
C23H24N4O3
M.W.:
404.47
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
70.31
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4532318 Name:
6-Hydroxy-4-oxo-1,3-diphenyl-2-thioxo-N-(3-(triflu
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Mol. Formula:
C24H16F3N3O4S
M.W.:
499.47
Type:
Unknown
AlogP:
5.21
Polar Surface Area:
85.49
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4531484 Name:
NA
Mol. Formula:
C26H25N5O6
M.W.:
503.52
Type:
Unknown
AlogP:
2.82
Polar Surface Area:
132.28
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4531481 Name:
(Z)-5-(2-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphen
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Mol. Formula:
C19H20N4O4
M.W.:
368.39
Type:
Unknown
AlogP:
2.82
Polar Surface Area:
91.38
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4558774 Name:
1-Phenyl-4-(4-(2-((5,6,7,8-tetrahydronaphthalen-2-
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Mol. Formula:
C29H36Cl2N2O
M.W.:
499.53
Type:
Unknown
AlogP:
5.51
Polar Surface Area:
15.71
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4556544 Name:
3-(3-(allyloxy)-4-(3-(3-amino-4,5-dimethoxyphenyl)
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Mol. Formula:
C32H35N3O8
M.W.:
589.65
Type:
Unknown
AlogP:
5.34
Polar Surface Area:
139.60
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4554757 Name:
Eutypellacytosporin D
Mol. Formula:
C40H58O11
M.W.:
714.89
Type:
Unknown
AlogP:
4.80
Polar Surface Area:
153.51
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4568864 Name:
(2-phenylimidazo[1,2-a]pyridin-3-yl)(1-(3,4,5-trim
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Mol. Formula:
C26H23N5O4
M.W.:
469.50
Type:
Unknown
AlogP:
3.90
Polar Surface Area:
92.77
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
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