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ALA1790704 Name:
(S)-2-((R)-2-{[(3S,6S,12R)-12-(3-Guanidino-propyl)
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Mol. Formula:
C38H60N8O8
M.W.:
756.95
Type:
Small molecule
AlogP:
1.34
Polar Surface Area:
247.64
HBA:
8
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
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ALA1790701 Name:
(S)-2-{(R)-2-[((3S,6S)-5,11-Dioxo-17-oxa-4,10-diaz
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Mol. Formula:
C32H48N4O7
M.W.:
600.76
Type:
Small molecule
AlogP:
2.80
Polar Surface Area:
154.14
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA38243 Name:
4-Methyl-N-[2-(3-oxo-1-phenyl-1,3-dihydro-isobenzo
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Mol. Formula:
C23H22N2O4S
M.W.:
422.51
Type:
Small molecule
AlogP:
2.93
Polar Surface Area:
84.50
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA25222 Name:
(S)-2-{(2S,3S)-2-[(S)-2-{[5-(7-Amino-heptyloxy)-3-
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Mol. Formula:
C47H71F3N6O9
M.W.:
921.11
Type:
Small molecule
AlogP:
6.49
Polar Surface Area:
221.89
HBA:
8
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
29
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA21413 Name:
(S)-2-{(2S,3S)-2-[(S)-2-{[7-(7-Amino-heptyloxy)-3-
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Mol. Formula:
C47H71F3N6O9
M.W.:
921.11
Type:
Small molecule
AlogP:
6.49
Polar Surface Area:
221.89
HBA:
8
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
29
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA281143 Name:
(S)-2-{(2S,3S)-2-[(S)-2-{[3-(7-Amino-heptyl)-7-(6-
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Mol. Formula:
C45H67F3N6O9
M.W.:
893.06
Type:
Small molecule
AlogP:
5.71
Polar Surface Area:
221.89
HBA:
8
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
27
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA283803 Name:
(S)-2-{(2S,3S)-2-[(S)-2-{[3-(7-Amino-heptyl)-5-(6-
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Mol. Formula:
C45H67F3N6O9
M.W.:
893.06
Type:
Small molecule
AlogP:
5.71
Polar Surface Area:
221.89
HBA:
8
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
27
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA21448 Name:
(S)-2-{(2S,3S)-2-[(S)-2-{[3-(6-Guanidino-hexyl)-7-
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Mol. Formula:
C45H67F3N10O9
M.W.:
949.09
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
298.65
HBA:
8
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
27
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA265064 Name:
(S)-2-{(2S,3S)-2-[(S)-2-{[3-(6-Guanidino-hexyl)-5-
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Mol. Formula:
C45H67F3N10O9
M.W.:
949.09
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
298.65
HBA:
8
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
27
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
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