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ALA4514393 Name:
(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
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Mol. Formula:
C27H23ClO7
M.W.:
494.93
Type:
Unknown
AlogP:
5.07
Polar Surface Area:
117.97
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4476289 Name:
(E)-6-(Nitrooxy)hexyl 3-[3-methoxy-4-((((5-(4-(2-(
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Mol. Formula:
C36H40N4O12S
M.W.:
752.80
Type:
Unknown
AlogP:
5.71
Polar Surface Area:
186.17
HBA:
15
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4475703 Name:
3beta-Hydroxy-23-O-[N,N-bis(2-chloroethyl)aminoben
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Mol. Formula:
C41H59Cl2NO5
M.W.:
716.83
Type:
Unknown
AlogP:
9.21
Polar Surface Area:
87.07
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4474687 Name:
6'-methoxy-5H-spiro[benzo[h]tetrazolo[5,1-b]quinaz
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Mol. Formula:
C20H12N6O4
M.W.:
400.35
Type:
Unknown
AlogP:
1.58
Polar Surface Area:
124.82
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4474159 Name:
7'-(trifluoromethyl)-5H-spiro[benzo[h]tetrazolo[5,
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Mol. Formula:
C20H9F3N6O3
M.W.:
438.33
Type:
Unknown
AlogP:
2.59
Polar Surface Area:
115.59
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4539643 Name:
3beta-Hydroxy-23-O-(3-chlorobenzoyl)-lup-20(29)-en
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Mol. Formula:
C37H51ClO5
M.W.:
611.26
Type:
Unknown
AlogP:
8.58
Polar Surface Area:
83.83
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4537501 Name:
7'-chloro-5H-spiro[benzo[h]tetrazolo[5,1-b]quinazo
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Mol. Formula:
C19H9ClN6O3
M.W.:
404.77
Type:
Unknown
AlogP:
2.22
Polar Surface Area:
115.59
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4519860 Name:
(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
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Mol. Formula:
C26H21BrO7
M.W.:
525.35
Type:
Unknown
AlogP:
4.87
Polar Surface Area:
117.97
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4533309 Name:
6'-chloro-5H-spiro[benzo[h]tetrazolo[5,1-b]quinazo
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Mol. Formula:
C19H9ClN6O3
M.W.:
404.77
Type:
Unknown
AlogP:
2.22
Polar Surface Area:
115.59
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4532480 Name:
3beta-Hydroxy-23-O-benzoyl-lup-20(29)-en-28-oic ac
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Mol. Formula:
C37H52O5
M.W.:
576.82
Type:
Unknown
AlogP:
7.93
Polar Surface Area:
83.83
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4531734 Name:
(E)-2-Methoxy-4-[3-(3-(nitrooxy)propoxy)-3-oxoprop
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Mol. Formula:
C36H38N4O13S
M.W.:
766.78
Type:
Unknown
AlogP:
4.25
Polar Surface Area:
203.24
HBA:
16
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4557993 Name:
(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
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Mol. Formula:
C27H24O7
M.W.:
460.48
Type:
Unknown
AlogP:
4.42
Polar Surface Area:
117.97
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4557294 Name:
Strepantibin B
Mol. Formula:
C21H17NO2
M.W.:
315.37
Type:
Unknown
AlogP:
4.27
Polar Surface Area:
38.66
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4557044 Name:
(E)-2-Methoxy-4-[3-(5-(nitrooxy)pentoxy)-3-oxoprop
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Mol. Formula:
C38H42N4O13S
M.W.:
794.84
Type:
Unknown
AlogP:
5.03
Polar Surface Area:
203.24
HBA:
16
HBD:
---
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4553504 Name:
(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
Show More⌵
Mol. Formula:
C27H23FO7
M.W.:
478.47
Type:
Unknown
AlogP:
4.56
Polar Surface Area:
117.97
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4571687 Name:
(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
Show More⌵
Mol. Formula:
C27H23FO7
M.W.:
478.47
Type:
Unknown
AlogP:
4.56
Polar Surface Area:
117.97
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4529521 Name:
(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
Show More⌵
Mol. Formula:
C28H26O7
M.W.:
474.51
Type:
Unknown
AlogP:
4.67
Polar Surface Area:
117.97
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4518919 Name:
(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
Show More⌵
Mol. Formula:
C28H26O7
M.W.:
474.51
Type:
Unknown
AlogP:
4.73
Polar Surface Area:
117.97
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4516934 Name:
3beta-Hydroxy-23-O-cyclohexylformyl-lup-20(29)-en-
Show More⌵
Mol. Formula:
C37H58O5
M.W.:
582.87
Type:
Unknown
AlogP:
8.19
Polar Surface Area:
83.83
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4546709 Name:
3beta-Hydroxy-23-O-(4-trifluoromethylbenzoyl)-lup-
Show More⌵
Mol. Formula:
C38H51F3O5
M.W.:
644.82
Type:
Unknown
AlogP:
8.95
Polar Surface Area:
83.83
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
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