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ALA4514746 Name:
3-(1-(4-(4-bromophenyl)thiazol-2-yl)-3-methyl-1H-p
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Mol. Formula:
C22H14BrN3O2S
M.W.:
464.34
Type:
Unknown
AlogP:
5.84
Polar Surface Area:
60.92
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4514588 Name:
NA
Mol. Formula:
C22H12ClF3N6O2S
M.W.:
516.89
Type:
Unknown
AlogP:
5.99
Polar Surface Area:
94.82
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4514493 Name:
(E)-6-(2,4-dihydroxy-5-methylphenyl)-6-oxohex-2-en
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Mol. Formula:
C13H14O5
M.W.:
250.25
Type:
Unknown
AlogP:
2.01
Polar Surface Area:
94.83
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4514372 Name:
4-Chloro-2-hydroxy-N-[2-(5-methyl-1H-indol-3-yl)-e
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Mol. Formula:
C18H17ClN2O2
M.W.:
328.80
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
65.12
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4514297 Name:
(2R,4aS,6aS,12bR,14aS)-(4-(2,6-dimethoxy-4-(3-meth
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Mol. Formula:
C45H56O9
M.W.:
740.93
Type:
Unknown
AlogP:
8.99
Polar Surface Area:
117.59
HBA:
9
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4514249 Name:
6-fluoro-3-(2-methoxyphenylselanyl)-2-phenylimidaz
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Mol. Formula:
C20H15FN2OSe
M.W.:
397.31
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4514120 Name:
3-(1-(4-(4-methoxyphenyl)thiazol-2-yl)-3-methyl-1H
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Mol. Formula:
C23H17N3O3S
M.W.:
415.47
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
70.15
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4513994 Name:
N-(4-(5-hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-y
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Mol. Formula:
C25H21NO7
M.W.:
447.44
Type:
Unknown
AlogP:
4.44
Polar Surface Area:
107.23
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4513957 Name:
Basimarol C
Mol. Formula:
C29H36O9
M.W.:
528.60
Type:
Unknown
AlogP:
2.17
Polar Surface Area:
139.59
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4513731 Name:
(1R,2R,5R,6S)-2-(2'-hydroxy-3',4',5'-trimethoxyphe
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Mol. Formula:
C29H36O14
M.W.:
608.59
Type:
Unknown
AlogP:
0.70
Polar Surface Area:
173.22
HBA:
14
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4513723 Name:
tert-butyl (2-((4-((2,5-dioxopyrrolidin-3-yl)methy
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Mol. Formula:
C30H37NO7
M.W.:
523.63
Type:
Unknown
AlogP:
5.29
Polar Surface Area:
100.16
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4513718 Name:
3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-g
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Mol. Formula:
C15H18O5
M.W.:
278.30
Type:
Unknown
AlogP:
1.47
Polar Surface Area:
53.99
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4513416 Name:
(E/Z)-4-(2-(2-((2-nitro-9H-fluoren-9-ylidene)methy
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Mol. Formula:
C26H24N2O4
M.W.:
428.49
Type:
Unknown
AlogP:
4.88
Polar Surface Area:
64.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4483742 Name:
(2E,4E)-1-(2,6-dihydroxy-3,5-dimethylphenyl)hexa-2
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Mol. Formula:
C14H16O3
M.W.:
232.28
Type:
Unknown
AlogP:
3.03
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4483612 Name:
N-(2-(diethylamino)ethyl)-1-ethyl-4-(3-(4-(3-hydro
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Mol. Formula:
C31H49N3O2
M.W.:
495.75
Type:
Unknown
AlogP:
5.00
Polar Surface Area:
55.81
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4483535 Name:
2-Methoxy-5-(4-((2-(piperidin-1-yl)ethyl)amino)qui
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Mol. Formula:
C23H27N5O2
M.W.:
405.50
Type:
Unknown
AlogP:
3.30
Polar Surface Area:
93.37
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4483533 Name:
(E/Z)-1-(2-(2-((2-nitro-9H-fluoren-9-ylidene)methy
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Mol. Formula:
C26H25N3O3
M.W.:
427.50
Type:
Unknown
AlogP:
4.45
Polar Surface Area:
67.64
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4483376 Name:
4-(7-Bromo-6-hydroxy-4-methoxybenzofuran-5-yl)-6-(
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Mol. Formula:
C18H13BrN2O4S
M.W.:
433.28
Type:
Unknown
AlogP:
5.60
Polar Surface Area:
84.42
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4483306 Name:
(3-(3-(3',6-dimethoxybiphenyl-3-ylcarboxamido)-8-m
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Mol. Formula:
C46H41BrNO6P
M.W.:
814.71
Type:
Unknown
AlogP:
8.80
Polar Surface Area:
87.00
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4476852 Name:
(20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
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Mol. Formula:
C45H64O6
M.W.:
701.00
Type:
Unknown
AlogP:
10.08
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
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