ALA2207149Name:
N-acetyl-(S)-prolyl-(S)-leucyl-(S)-phenylalanylglycineMol. Formula:
C24H34N4O6M.W.:
474.56Type:
ProteinAlogP:
0.46Polar Surface Area:
144.91HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
ProteinAlogP:
0.47Polar Surface Area:
124.60HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
-0.07Polar Surface Area:
95.50HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS
ALA2207146Name:
Oalpha-(Glycyl-(S)-alanyl-(S)-prolyl)glycolic acidMol. Formula:
C12H19N3O6M.W.:
301.30Type:
ProteinAlogP:
-1.93Polar Surface Area:
139.03HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
-1.05Polar Surface Area:
109.93HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS-
Type:
Small moleculeAlogP:
-0.63Polar Surface Area:
75.63HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA2207142
Name:
Oalpha-(N-Acetyl-(S)-prolyl-(S)-leucylglycyl)glycolic acidMol. Formula:
C17H26N2O8M.W.:
386.40Type:
Small moleculeAlogP:
-0.30Polar Surface Area:
139.31HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA2207141
Name:
Oalpha-(N-Acetyl-(S)-leucylglycyl)glycolic acidMol. Formula:
C12H20N2O6M.W.:
288.30Type:
Small moleculeAlogP:
-0.72Polar Surface Area:
121.80HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
-1.25Polar Surface Area:
92.70HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
-0.37Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
ProteinAlogP:
-2.22Polar Surface Area:
170.93HBA:
6HBD:
5#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
ProteinAlogP:
-2.36Polar Surface Area:
141.83HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
ProteinAlogP:
-1.15Polar Surface Area:
144.91HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA2207133
Name:
Oalpha-(Glycyl-(S)-alanyl-(S)-phenylalanyl)glycolic acidMol. Formula:
C16H21N3O6M.W.:
351.36Type:
ProteinAlogP:
-1.19Polar Surface Area:
147.82HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA2207132
Name:
Oalpha-((S)-Alanyl-(S)-phenylalanyl)glycolic acidMol. Formula:
C14H18N2O5M.W.:
294.31Type:
Small moleculeAlogP:
-0.31Polar Surface Area:
118.72HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
0.18Polar Surface Area:
89.62HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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