ALA2114199Name:
2-Benzyl-4-(1-carboxy-ethylcarbamoyl)-5-phenyl-pentanoic acidMol. Formula:
C22H25NO5M.W.:
383.44Type:
Small moleculeAlogP:
2.77Polar Surface Area:
103.70HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA2112023Name:
3-[3-Biphenyl-4-yl-2-(phosphonomethyl-amino)-propionylamino]-propionic acidMol. Formula:
C19H23N2O6PM.W.:
406.38Type:
Small moleculeAlogP:
1.58Polar Surface Area:
135.96HBA:
4HBD:
5#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
Small moleculeAlogP:
2.26Polar Surface Area:
116.76HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.26DETAILS
Type:
Small moleculeAlogP:
1.07Polar Surface Area:
121.52HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
Small moleculeAlogP:
2.41Polar Surface Area:
71.09HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS- Phosphoramidon
Name:
N-alpha-L-rhamnopyranosyloxy(hydroxyphosphinyl)-L-Leucyl-L-TryptophanMol. Formula:
C23H34N3O10PM.W.:
543.51Type:
Small moleculeAlogP:
0.23Polar Surface Area:
210.67HBA:
8HBD:
8#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
2.88Polar Surface Area:
112.93HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
3.10Polar Surface Area:
86.71HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
2.78Polar Surface Area:
86.71HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
2.24Polar Surface Area:
66.40HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.06Polar Surface Area:
122.16HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
2.53Polar Surface Area:
66.40HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
2.63Polar Surface Area:
66.40HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
2.29Polar Surface Area:
66.40HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA165980
Name:
(R,S) 2-(2-Mercaptomethyl-3-phenyl-propionylamino)-propionic acidMol. Formula:
C13H17NO3SM.W.:
267.35Type:
Small moleculeAlogP:
1.36Polar Surface Area:
66.40HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA164965
Name:
2-(2-Amino-3-phenyl-propionylamino)-propionic acid anionMol. Formula:
C12H16N2O3M.W.:
236.27Type:
Small moleculeAlogP:
0.15Polar Surface Area:
92.42HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA165499
Name:
(R,R) N-(1-Mercaptomethyl-2-phenyl-ethyl)-2-methyl-malonamic acidMol. Formula:
C13H17NO3SM.W.:
267.35Type:
Small moleculeAlogP:
1.36Polar Surface Area:
66.40HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA164955
Name:
(R,R) 2-(1-Mercaptomethyl-2-phenyl-ethylcarbamoyl)-4-methyl-pentanoic acidMol. Formula:
C16H23NO3SM.W.:
309.43Type:
Small moleculeAlogP:
2.39Polar Surface Area:
66.40HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
1.94Polar Surface Area:
86.71HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
1.94Polar Surface Area:
86.71HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS
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