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ALA4514483 Name:
(6-(1,4'-bipiperidin-1'-yl)-3-methylpyrrolo[2,1-a]
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Mol. Formula:
C32H46N6O4
M.W.:
578.76
Type:
Unknown
AlogP:
5.52
Polar Surface Area:
100.44
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4514332 Name:
Methyl 3-cyclohexyl-6-methoxy-1H-indole-2-carboxyl
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Mol. Formula:
C17H21NO3
M.W.:
287.36
Type:
Unknown
AlogP:
4.01
Polar Surface Area:
51.32
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4514217 Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR)-9-acetoxy-1
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Mol. Formula:
C41H55N3O5
M.W.:
669.91
Type:
Unknown
AlogP:
8.41
Polar Surface Area:
111.38
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4514214 Name:
(+/-)-8,9-diethoxy-2,3,4,7-tetrahydroxy-1,3,4,4a,5
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Mol. Formula:
C17H23NO7
M.W.:
353.37
Type:
Unknown
AlogP:
-0.13
Polar Surface Area:
128.48
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4514128 Name:
4-((3-methoxyacridin-9-ylamino)methyl)-N-phenylben
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Mol. Formula:
C28H23N3O2
M.W.:
433.51
Type:
Unknown
AlogP:
6.26
Polar Surface Area:
63.25
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4513765 Name:
(6-methoxy-3-(4-(trifluoromethyl)phenyl)-1H-indole
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Mol. Formula:
C26H21F3N2O4
M.W.:
482.46
Type:
Unknown
AlogP:
5.29
Polar Surface Area:
91.42
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4513517 Name:
4-(3-Bromophenyl)-8-chloro-3,4-dihydro[1]benzothie
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Mol. Formula:
C16H11BrClN3S
M.W.:
392.71
Type:
Unknown
AlogP:
5.36
Polar Surface Area:
47.91
HBA:
2
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4476590 Name:
(1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-1,2,6a,6b,9
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Mol. Formula:
C35H52N2O3S
M.W.:
580.88
Type:
Unknown
AlogP:
7.74
Polar Surface Area:
62.66
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4476011 Name:
Methyl 2alpha-trans-cinnamoyloxy-3beta,6beta,23-tr
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Mol. Formula:
C40H56O7
M.W.:
648.88
Type:
Unknown
AlogP:
6.36
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4475803 Name:
5'-(3,5-Dichlorophenyl)-2,2'-bifuran-5-carboxamidi
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Mol. Formula:
C15H10Cl2N2O2
M.W.:
321.16
Type:
Unknown
AlogP:
4.80
Polar Surface Area:
76.15
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4475170 Name:
Methyl 6-methoxy-3-(2-methoxyphenyl)-1H-indole-2-c
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Mol. Formula:
C18H17NO4
M.W.:
311.34
Type:
Unknown
AlogP:
3.64
Polar Surface Area:
60.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4475156 Name:
Methyl 2-hydroxy-3-oxo-6,23-epoxyursa-1,5,12-trien
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Mol. Formula:
C31H42O5
M.W.:
494.67
Type:
Unknown
AlogP:
6.31
Polar Surface Area:
72.83
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4475094 Name:
17beta-(3-Furyl)-14,15beta-epoxy-3beta-methoxy-5al
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Mol. Formula:
C24H34O4
M.W.:
386.53
Type:
Unknown
AlogP:
4.52
Polar Surface Area:
55.13
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4475090 Name:
Erythrofordin E
Mol. Formula:
C21H30O4
M.W.:
346.47
Type:
Unknown
AlogP:
3.73
Polar Surface Area:
60.44
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4475044 Name:
NA
Mol. Formula:
C23H14O5S
M.W.:
402.43
Type:
Unknown
AlogP:
2.60
Polar Surface Area:
88.51
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4474934 Name:
(+/-)-7,8-diethoxy-2,3,4-trihydroxy-9-methoxy-1,3,
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Mol. Formula:
C18H25NO7
M.W.:
367.40
Type:
Unknown
AlogP:
0.17
Polar Surface Area:
117.48
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4474420 Name:
Methyl 1-cyano-2,3-seco-2-nor-3-formyl-6,23-epoxyu
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Mol. Formula:
C31H43NO4
M.W.:
493.69
Type:
Unknown
AlogP:
6.39
Polar Surface Area:
76.39
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4474138 Name:
(+/-)-benzyl 4-(benzo[d][1,3]dioxol-5-yl)-6-methyl
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Cas Number:
296262-59-4
Mol. Formula:
C20H18N2O5
M.W.:
366.37
Type:
Unknown
AlogP:
2.79
Polar Surface Area:
85.89
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4540387 Name:
Methyl 2-oxo-3beta-trans-cinnamoyloxy-6,23-epoxyur
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Mol. Formula:
C40H50O6
M.W.:
626.83
Type:
Unknown
AlogP:
7.88
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4539000 Name:
Methyl 2alpha,3beta,6beta,23-tetrahydroxyurs-12-en
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Mol. Formula:
C31H50O6
M.W.:
518.74
Type:
Unknown
AlogP:
4.09
Polar Surface Area:
107.22
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
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