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ALA4647581 Name:
[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-bromobenzoyl)amino]-3-phenyl-propanoShow More⌵
Mol. Formula:
C73H87BrN11O15S+
M.W.:
1470.53
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4646516 Name:
[(5S)-6-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-5-[[(2S)-2-[[(2Show More⌵
Mol. Formula:
C54H68N9O12S+
M.W.:
1067.26
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4643012 Name:
[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amShow More⌵
Mol. Formula:
C75H95N12O17S+
M.W.:
1468.72
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4640223 Name:
[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-bromobenzoyl)amino]-3-phenyl-propanoShow More⌵
Mol. Formula:
C73H85BrN11O16S+
M.W.:
1484.51
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4640186 Name:
[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amShow More⌵
Mol. Formula:
C73H93N12O17S+
M.W.:
1442.68
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4637043 Name:
[(5S)-6-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-5-[[(2S)-2-[[(2Show More⌵
Mol. Formula:
C63H77N10O13S+
M.W.:
1214.43
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4635096 Name:
[(5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(4-bromobenzoyl)amino]-3-phenyl-propanoShow More⌵
Mol. Formula:
C71H87BrN11O16S+
M.W.:
1462.51
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3706386 Name:
SID85201803
Mol. Formula:
C30H46O16S2
M.W.:
726.82
Type:
Small molecule
AlogP:
1.67
Polar Surface Area:
249.72
HBA:
13
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA3392618 Name:
SID99431160
Mol. Formula:
C17H14N6O3S2
M.W.:
414.47
Type:
Small molecule
AlogP:
1.88
Polar Surface Area:
143.72
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA3392609 Name:
SID26755415
Mol. Formula:
C15H16Br2N2O2S
M.W.:
448.18
Type:
Small molecule
AlogP:
4.83
Polar Surface Area:
59.06
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3392590 Name:
SID85267178
Mol. Formula:
C22H25N5O7S2
M.W.:
535.60
Type:
Small molecule
AlogP:
0.13
Polar Surface Area:
160.70
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA3391769 Name:
SID47193453
Mol. Formula:
C31H48O6
M.W.:
516.72
Type:
Small molecule
AlogP:
5.91
Polar Surface Area:
71.06
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3391735 Name:
SID93576599
Mol. Formula:
C28H29NO4
M.W.:
443.54
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
9.23
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA3214448 Name:
SID861671
Mol. Formula:
C11H24N4O2
M.W.:
244.34
Type:
Small molecule
AlogP:
-0.12
Polar Surface Area:
76.96
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA3214384 Name:
SID47200621
Mol. Formula:
C16H18ClNO3
M.W.:
307.78
Type:
Small molecule
AlogP:
2.21
Polar Surface Area:
66.40
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3214292 Name:
SID14732125
Mol. Formula:
C15H13N5O
M.W.:
279.30
Type:
Small molecule
AlogP:
1.58
Polar Surface Area:
72.17
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA3214131 Name:
SID24813453
Mol. Formula:
C26H35N3O4
M.W.:
453.58
Type:
Small molecule
AlogP:
3.06
Polar Surface Area:
87.74
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA3214104 Name:
SID49829362
Mol. Formula:
C20H26N2O4S2
M.W.:
422.57
Type:
Small molecule
AlogP:
3.27
Polar Surface Area:
76.04
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3213971 Name:
SID47196169
Mol. Formula:
C13H19BrN2OS
M.W.:
331.28
Type:
Small molecule
AlogP:
2.76
Polar Surface Area:
24.83
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.60
DETAILS
CLOSE
ALA3213970 Name:
SID74373571
Mol. Formula:
C28H37F3N2O6S
M.W.:
586.67
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
66.92
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
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