Type:
Small moleculeAlogP:
3.22Polar Surface Area:
112.57HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA3827073Name:
(2S)-5-oxo-2-[(biphenylsulfonyl)amino]-5-[benzylamino]pentanoic acidMol. Formula:
C24H24N2O5SM.W.:
452.53Type:
Small moleculeAlogP:
3.18Polar Surface Area:
112.57HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.44DETAILS
ALA3827306Name:
(2S)-2-[(biphenyl-4-ylsulfonyl)amino]-5-(propylamino)-5-oxopentanoic acidMol. Formula:
C20H24N2O5SM.W.:
404.49Type:
Small moleculeAlogP:
2.39Polar Surface Area:
112.57HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA3828315Name:
(2S)-2-[(biphenyl-4-ylsulfonyl)amino]-5-(ethylamino)-5-oxopentanoic acidMol. Formula:
C19H22N2O5SM.W.:
390.46Type:
Small moleculeAlogP:
2.00Polar Surface Area:
112.57HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA3828088Name:
(2S)-2-[(biphenyl-4-ylsulfonyl)amino]-5-(methylamino)-5-oxopentanoic acidMol. Formula:
C18H20N2O5SM.W.:
376.43Type:
Small moleculeAlogP:
1.61Polar Surface Area:
112.57HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.65DETAILS- ALA3827869
Name:
(2S)-5-amino-2-[(biphenyl-4-ylsulfonyl)amino]-5-oxopentanoic acidMol. Formula:
C17H18N2O5SM.W.:
362.41Type:
Small moleculeAlogP:
1.35Polar Surface Area:
126.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA2442892
Name:
Isopropyl(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl)carbonateMol. Formula:
C19H20O6S2M.W.:
408.50Type:
Small moleculeAlogP:
4.29Polar Surface Area:
78.90HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.38DETAILS - ALA2442891
Name:
Propyl(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl)carbonateMol. Formula:
C19H20O6S2M.W.:
408.50Type:
Small moleculeAlogP:
4.29Polar Surface Area:
78.90HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA2442890
Name:
Ethyl(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl)carbonateMol. Formula:
C18H18O6S2M.W.:
394.47Type:
Small moleculeAlogP:
3.90Polar Surface Area:
78.90HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA2442888
Name:
Isopropyl(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl)carbamateMol. Formula:
C19H21NO5S2M.W.:
407.51Type:
Small moleculeAlogP:
4.32Polar Surface Area:
81.70HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA2442887
Name:
Propyl(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl)carbamateMol. Formula:
C19H21NO5S2M.W.:
407.51Type:
Small moleculeAlogP:
4.33Polar Surface Area:
81.70HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA2442886
Name:
Ethyl(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl)carbamateMol. Formula:
C18H19NO5S2M.W.:
393.49Type:
Small moleculeAlogP:
3.94Polar Surface Area:
81.70HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA2442885
Name:
Methyl(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl)carbamateMol. Formula:
C17H17NO5S2M.W.:
379.46Type:
Small moleculeAlogP:
3.55Polar Surface Area:
81.70HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.77DETAILS
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