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ALA4514691 Name:
(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-(1-(benzo
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Mol. Formula:
C40H53N3O5
M.W.:
655.88
Type:
Unknown
AlogP:
8.27
Polar Surface Area:
92.54
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4514682 Name:
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-(methylsulfo
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Mol. Formula:
C19H22ClN5O4S
M.W.:
451.94
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
89.27
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4514658 Name:
6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)hexyl (1S,2R,
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Mol. Formula:
C40H61FN2O5
M.W.:
668.94
Type:
Unknown
AlogP:
7.80
Polar Surface Area:
101.39
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4514527 Name:
N1-(2-(5-chloro-2,4-dimethoxyphenyl)-7-morpholinoi
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Mol. Formula:
C21H26ClN5O3
M.W.:
431.92
Type:
Unknown
AlogP:
2.88
Polar Surface Area:
86.28
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4514396 Name:
N-[(4S)-Isopropenylcychlohexene-1-carboxyl]-(-)-de
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Mol. Formula:
C30H35NO5S
M.W.:
521.68
Type:
Unknown
AlogP:
5.87
Polar Surface Area:
73.86
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4514359 Name:
2-(1-(2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-
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Mol. Formula:
C22H29Cl3N4O2
M.W.:
487.86
Type:
Unknown
AlogP:
4.24
Polar Surface Area:
65.02
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4514330 Name:
Octanedioic acid {4-[(2,4-dihydroxy-5-isopropyl-be
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Mol. Formula:
C25H33N3O6
M.W.:
471.55
Type:
Unknown
AlogP:
4.28
Polar Surface Area:
139.20
HBA:
6
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4514108 Name:
(S)-tert-butyl (1-(2-(5-chloro-2,4-dimethoxyphenyl
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Mol. Formula:
C23H28ClN5O4
M.W.:
473.96
Type:
Unknown
AlogP:
4.17
Polar Surface Area:
90.22
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4514060 Name:
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-(pyrimidin-5
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Mol. Formula:
C24H25ClN6O2
M.W.:
464.96
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
68.02
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4514054 Name:
4-Hydroxy-3-methyl-4-(3,4,5-trimethoxyphenyl)thiaz
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Mol. Formula:
C13H17NO4S2
M.W.:
315.42
Type:
Unknown
AlogP:
1.82
Polar Surface Area:
51.16
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4513940 Name:
(1R,4S,7R,10S,13S,14R,15E,17E,19R,21S)-4-((S)-Sec-
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Mol. Formula:
C41H53Cl2N3O9
M.W.:
802.79
Type:
Unknown
AlogP:
5.51
Polar Surface Area:
175.82
HBA:
9
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4513911 Name:
2-Oxo-2-((3-(picolinamido)phenyl)amino)ethyl-4-cyc
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Mol. Formula:
C25H31N5O2S2
M.W.:
497.69
Type:
Unknown
AlogP:
4.24
Polar Surface Area:
77.57
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4513874 Name:
(5R,5aR,8aS,9S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-
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Mol. Formula:
C34H30N4O9
M.W.:
638.63
Type:
Unknown
AlogP:
4.28
Polar Surface Area:
156.40
HBA:
13
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4513810 Name:
2'-Amino-1-ethyl-5'-hydroxy-7-methyl-2,6'-dioxo-8'
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Mol. Formula:
C29H21N3O5
M.W.:
491.50
Type:
Unknown
AlogP:
4.21
Polar Surface Area:
129.79
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4513712 Name:
5-cyclopentyl-1-methyl-7-(4-(pyrrolidin-1-yl)pheny
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Mol. Formula:
C23H26N8O
M.W.:
430.52
Type:
Unknown
AlogP:
3.60
Polar Surface Area:
93.24
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4513636 Name:
Benzyl 3beta-[(L-leucine)amino]-11-oxo-olean-12-en
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Mol. Formula:
C43H64N2O4
M.W.:
673.00
Type:
Unknown
AlogP:
8.57
Polar Surface Area:
98.49
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4513600 Name:
4-(2-(4-2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,
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Mol. Formula:
C27H30ClN7O3
M.W.:
536.04
Type:
Unknown
AlogP:
3.63
Polar Surface Area:
80.49
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4513575 Name:
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-(cyclopropyl
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Mol. Formula:
C23H27ClN4O4S
M.W.:
491.01
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
76.38
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4513549 Name:
((2S*,3S*)-3-Cyano-3-methylaziridin-2-yl)phosphoni
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Mol. Formula:
C4H7N2O3P
M.W.:
162.09
Type:
Unknown
AlogP:
-0.62
Polar Surface Area:
103.26
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4513384 Name:
Tert-butyl 4-(3-bromo-2-(5-chloro-2,4-dimethoxyphe
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Mol. Formula:
C24H28BrClN4O4
M.W.:
551.87
Type:
Unknown
AlogP:
5.49
Polar Surface Area:
68.54
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
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