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ALA4514452 Name:
N-[3-(6-Phenyl-4-{[(1R)-1-phenylethyl]amino}furo[2
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Mol. Formula:
C29H24N4O2
M.W.:
460.54
Type:
Unknown
AlogP:
6.85
Polar Surface Area:
80.05
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4513286 Name:
(R)-S,S'-(2-((4-((3-Chloro-4-((3-fluorobenzyl)oxy)
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Mol. Formula:
C34H32ClFN4O7S2
M.W.:
727.24
Type:
Unknown
AlogP:
6.07
Polar Surface Area:
170.87
HBA:
12
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4476791 Name:
N-(2-Dimethylamino-4-methoxy-5-((4-benzamidopyrimi
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Mol. Formula:
C23H24N6O3
M.W.:
432.48
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
108.48
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4476265 Name:
5-{[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]methyl
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Mol. Formula:
C23H25ClN6S
M.W.:
453.02
Type:
Unknown
AlogP:
5.14
Polar Surface Area:
54.67
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4475780 Name:
4-[N-acryloyl-(4-chloro-2-fluorophenyl)amino]-6-[3
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Mol. Formula:
C25H26ClFN4O4
M.W.:
500.96
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
77.02
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4475546 Name:
N-[3-(6-Chloro-4-{[(1S)-2-hydroxy-1-phenylethyl]am
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Mol. Formula:
C23H19ClN4O2S
M.W.:
450.95
Type:
Unknown
AlogP:
5.28
Polar Surface Area:
87.14
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4475098 Name:
N-(4-((6,7-dimethoxyquinazolin-4-yl)amino)-3-fluor
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Mol. Formula:
C32H26FN5O4
M.W.:
563.59
Type:
Unknown
AlogP:
5.87
Polar Surface Area:
105.68
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4474651 Name:
2-{[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]acetyl
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Mol. Formula:
C18H18ClN5OS
M.W.:
387.90
Type:
Unknown
AlogP:
2.87
Polar Surface Area:
70.98
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4474541 Name:
N-{3-[7-(2-Methoxy-4-morpholin-4-yl-phenylamino)-4
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Mol. Formula:
C28H26N8O4
M.W.:
538.57
Type:
Unknown
AlogP:
3.14
Polar Surface Area:
127.91
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4474196 Name:
(R)-6-(2-chloro-3-fluorophenyl)-5-methyl-2-((3-met
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Mol. Formula:
C34H39ClFN7O2
M.W.:
632.18
Type:
Unknown
AlogP:
5.94
Polar Surface Area:
86.60
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4540442 Name:
N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-5-((4
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Mol. Formula:
C27H36N8O4S
M.W.:
568.70
Type:
Unknown
AlogP:
3.35
Polar Surface Area:
132.03
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4540305 Name:
N-(3-fluoro-4-((6-methoxy-7-((1-methylpiperidin-4-
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Mol. Formula:
C29H30FN5O3
M.W.:
515.59
Type:
Unknown
AlogP:
5.49
Polar Surface Area:
88.61
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4540295 Name:
N-(2-(4-Methylpiperazin-1-yl)-4-methoxy-5-((4-(4-t
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Mol. Formula:
C27H28F3N7O3
M.W.:
555.56
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
111.72
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4540138 Name:
4-(4-(3-bromophenylamino)quinazolin-6-ylamino)-N,N
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Mol. Formula:
C26H27Br2N7O3
M.W.:
645.36
Type:
Unknown
AlogP:
5.15
Polar Surface Area:
114.98
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4539566 Name:
5-methyl-2-((4-methylbenzyl)thio)-[1,2,4]triazolo[
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Mol. Formula:
C14H14N4OS
M.W.:
286.36
Type:
Unknown
AlogP:
2.33
Polar Surface Area:
63.05
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4539558 Name:
Spongiacidin B
Mol. Formula:
C11H10BrN5O2
M.W.:
324.14
Type:
Unknown
AlogP:
0.28
Polar Surface Area:
109.87
HBA:
3
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4538810 Name:
5-{[2-(4-Chlorophenyl)-1H-benzimidazol-1-yl]methyl
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Mol. Formula:
C22H23ClN6OS
M.W.:
454.99
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
63.90
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4538066 Name:
2-cyclohexyl-N-(3-fluoro-4-((6-methoxy-7-((1-methy
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Mol. Formula:
C38H43FN6O4
M.W.:
666.80
Type:
Unknown
AlogP:
6.79
Polar Surface Area:
108.92
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4537004 Name:
1-(2,6-dichlorophenyl)-3-(6-((3-fluoro-5-methylphe
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Mol. Formula:
C18H14Cl2FN5O
M.W.:
406.25
Type:
Unknown
AlogP:
5.62
Polar Surface Area:
78.94
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4536512 Name:
5-[(2-Phenyl-1H-benzimidazol-1-yl)methyl]-4-[2-(pi
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Mol. Formula:
C23H26N6S
M.W.:
418.57
Type:
Unknown
AlogP:
4.49
Polar Surface Area:
54.67
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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