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ALA4514678 Name:
4-((4-((4-(4-Cyano-2,6-dimethylphenoxy)-5,7-dihydr
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Mol. Formula:
C28H30N6O3
M.W.:
498.59
Type:
Unknown
AlogP:
3.96
Polar Surface Area:
126.39
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4513798 Name:
4-chloro-3-methyl-4-(4-(phenylethynyl)phenyl)isoch
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Mol. Formula:
C24H17ClO2
M.W.:
372.85
Type:
Unknown
AlogP:
5.13
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4513683 Name:
2-(2-(3-(Benzyloxy)phenyl)-7-(8-fluoro-5-methylchr
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Mol. Formula:
C36H36FN3O5
M.W.:
609.70
Type:
Unknown
AlogP:
7.66
Polar Surface Area:
95.18
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4483455 Name:
Ethyl 3-bromo-4-(2-((2-chloro-9-(4-cyclopropyl-nap
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Mol. Formula:
C29H23BrClN5O3S
M.W.:
636.96
Type:
Unknown
AlogP:
7.17
Polar Surface Area:
99.00
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4483362 Name:
N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin
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Mol. Formula:
C27H23FN4O5
M.W.:
502.50
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
117.42
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4483041 Name:
(E)-2-{4-[2,6-dichloro-4-(2-cyanovinyl)phenylamino
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Mol. Formula:
C28H20Cl2F3N5O3S
M.W.:
634.47
Type:
Unknown
AlogP:
7.98
Polar Surface Area:
109.16
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4476838 Name:
(R)-N-(2-Amino-1-(5-(hydroxymethyl)thiazol-2-yl)et
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Mol. Formula:
C17H18ClN5O2S
M.W.:
391.88
Type:
Unknown
AlogP:
2.42
Polar Surface Area:
116.92
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4476773 Name:
3,5-dimethyl-4-(2-(4-(morpholinomethyl)phenylamino
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Mol. Formula:
C24H25N5O2
M.W.:
415.50
Type:
Unknown
AlogP:
4.33
Polar Surface Area:
83.30
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4476732 Name:
5-Chloro-N-(1-(2-cyanobenzyl)azetidin-3-yl)-3-((3,
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Mol. Formula:
C28H25ClN4O3S
M.W.:
533.05
Type:
Unknown
AlogP:
4.76
Polar Surface Area:
106.06
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4476653 Name:
(S)-2-(2-((4-Bromophenyl)sulfonamido)acetamido)-N-
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Mol. Formula:
C25H26BrN3O5S
M.W.:
560.47
Type:
Unknown
AlogP:
3.13
Polar Surface Area:
104.81
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4476638 Name:
4-[3-[2-carboxy-2-[[7-[[1-carboxy-2-[2-(4-carboxyp
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Mol. Formula:
C64H57N7O17
M.W.:
1196.19
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4476541 Name:
2-amino-N-(2-methoxypyridin-3-yl)-6-((4-nitropheny
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Mol. Formula:
C19H16N4O6S
M.W.:
428.43
Type:
Unknown
AlogP:
2.67
Polar Surface Area:
154.52
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4476506 Name:
4'-((2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3
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Mol. Formula:
C25H17N5O
M.W.:
403.45
Type:
Unknown
AlogP:
5.73
Polar Surface Area:
94.62
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4476366 Name:
2-(tert-Butoxy)-2-(7-(chroman-6-yl)-5-methyl-2-phe
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Mol. Formula:
C28H29N3O4
M.W.:
471.56
Type:
Unknown
AlogP:
5.64
Polar Surface Area:
85.95
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4476333 Name:
(S)-2-((S)-2-((2S,3R)-2-((S)-1-((S)-2,6-bis((S)-6-
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Mol. Formula:
C87H109N17O16
M.W.:
1648.93
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4475949 Name:
Soulieoside N
Mol. Formula:
C35H58O10
M.W.:
638.84
Type:
Unknown
AlogP:
1.87
Polar Surface Area:
169.30
HBA:
10
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4475694 Name:
4-((6-Chloro-4-(cyclopropylethynyl)-4-(trifluorome
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Mol. Formula:
C21H14ClF3N4
M.W.:
414.82
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
60.21
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4475109 Name:
(E)-2-{4-[2,6-dichloro-4-(2-cyanovinyl)phenylamino
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Mol. Formula:
C27H20Cl2N6O6S
M.W.:
627.47
Type:
Unknown
AlogP:
5.89
Polar Surface Area:
175.36
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4475105 Name:
2-(tert-Butoxy)-2-(5-methyl-2-phenyl-7-(m-tolyl)py
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Mol. Formula:
C26H27N3O3
M.W.:
429.52
Type:
Unknown
AlogP:
5.62
Polar Surface Area:
76.72
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4474877 Name:
(S)-N-(4-Methoxyphenyl)-N-methyl-3-phenyl-2-(2-((2
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Mol. Formula:
C34H45N3O5S
M.W.:
607.82
Type:
Unknown
AlogP:
5.73
Polar Surface Area:
104.81
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
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