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ALA4513688 Name:
1-(4,5-Bis(4-(furan-3-yl)phenyl)thiophen-2-yl)-N-(
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Mol. Formula:
C31H30N2O2S
M.W.:
494.66
Type:
Unknown
AlogP:
7.69
Polar Surface Area:
50.34
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4513653 Name:
1-((S)-2',4'-Dioxo-3'-(2-oxo-2-((S)-3-(trifluorome
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Mol. Formula:
C26H25F3N4O5
M.W.:
530.50
Type:
Unknown
AlogP:
3.46
Polar Surface Area:
108.05
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4513369 Name:
4-(5-(4,5-Dimethyl-2-nitrobenzoyl)-1H-indol-1-yl)b
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Mol. Formula:
C24H18N2O5
M.W.:
414.42
Type:
Unknown
AlogP:
5.08
Polar Surface Area:
102.44
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4483638 Name:
1-(4,5-Bis(4-isopropylphenyl)thiophen-2-yl)-N-(pip
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Mol. Formula:
C29H38N2S
M.W.:
446.70
Type:
Unknown
AlogP:
7.42
Polar Surface Area:
24.06
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4475351 Name:
1-((R)-3'-(2-((S)-3-Cyclopropyl-7-fluoro-1,3,4,5-t
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Mol. Formula:
C28H29FN4O5
M.W.:
520.56
Type:
Unknown
AlogP:
3.45
Polar Surface Area:
108.05
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4474848 Name:
4-(3-Methyl-5-oxo-4-((5-(3-oxo-2,3-dihydro-1H-inde
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Mol. Formula:
C25H18N2O5
M.W.:
426.43
Type:
Unknown
AlogP:
4.58
Polar Surface Area:
100.18
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4474132 Name:
1-(4,5-Bis(4-(tert-butyl)phenyl)thiophen-2-yl)-N-(
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Mol. Formula:
C31H42N2S
M.W.:
474.76
Type:
Unknown
AlogP:
7.77
Polar Surface Area:
24.06
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4474109 Name:
(R)-3'-(2-((R)-3-Cyclopropyl-7-fluoro-2,3-dihydrob
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Mol. Formula:
C29H27FN4O5
M.W.:
530.56
Type:
Unknown
AlogP:
3.55
Polar Surface Area:
93.97
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4538233 Name:
10-Benzyloxy-2,3,11-trimethoxy-6,7-dihydro-5H-benz
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Mol. Formula:
C28H28ClNO4
M.W.:
477.99
Type:
Unknown
AlogP:
5.35
Polar Surface Area:
40.80
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4537592 Name:
4-(4-(1-(5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl)
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Mol. Formula:
C25H21N3O6
M.W.:
459.46
Type:
Unknown
AlogP:
5.37
Polar Surface Area:
126.25
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4536287 Name:
8-Benzyl-2,3,10,11-tetramethoxy-5,6,7,9,14,14a-hex
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Mol. Formula:
C29H34BrNO4
M.W.:
540.50
Type:
Unknown
AlogP:
5.48
Polar Surface Area:
36.92
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4525368 Name:
1-Methyl-3-((R)-3'-(2-((S)-3-methyl-1,3,4,5-tetrah
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Mol. Formula:
C26H28N4O5
M.W.:
476.53
Type:
Unknown
AlogP:
2.92
Polar Surface Area:
108.05
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4524766 Name:
(S)-2-((S)-3-carboxy-5-((S)-1-carboxy-3-(5-(((S)-5
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Mol. Formula:
C29H37N7O15
M.W.:
723.65
Type:
Unknown
AlogP:
-3.41
Polar Surface Area:
377.19
HBA:
12
HBD:
13
#RO5 Violations:
3
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4524475 Name:
(6S,9S,12S,15S)-1-amino-6-((3S,6S,9S,E)-9-(carboxy
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Mol. Formula:
C42H71N13O13
M.W.:
966.11
Type:
Unknown
AlogP:
-3.89
Polar Surface Area:
429.62
HBA:
13
HBD:
14
#RO5 Violations:
3
#Rotatable Bonds:
25
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA4524352 Name:
1-Methyl-3-((R)-3'-(2-((R)-3-methyl-1,3,4,5-tetrah
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Mol. Formula:
C26H28N4O5
M.W.:
476.53
Type:
Unknown
AlogP:
2.92
Polar Surface Area:
108.05
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4522651 Name:
4-(5-((5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl)me
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Mol. Formula:
C23H16N2O7S
M.W.:
464.46
Type:
Unknown
AlogP:
5.41
Polar Surface Area:
130.96
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4522123 Name:
N-((5,6-Bis(4-(furan-3-yl)phenyl)pyrazin-2-yl)meth
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Mol. Formula:
C31H30N4O2
M.W.:
490.61
Type:
Unknown
AlogP:
6.42
Polar Surface Area:
76.12
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4520507 Name:
1-(4,5-Bis(4-butylphenyl)thiophen-2-yl)-N-(piperid
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Mol. Formula:
C31H42N2S
M.W.:
474.76
Type:
Unknown
AlogP:
7.86
Polar Surface Area:
24.06
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
Type:
Unknown
AlogP:
3.63
Polar Surface Area:
62.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4535532 Name:
1-(4,5-Bis(4-(tert-butyl)phenyl)thiazol-2-yl)-N-(p
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Mol. Formula:
C30H41N3S
M.W.:
475.75
Type:
Unknown
AlogP:
7.16
Polar Surface Area:
36.95
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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