ALA5271611Name:
4-chloro-5-sulfamoyl-2-(tetradecylamino)benzoic acidMol. Formula:
C21H35ClN2O4SM.W.:
447.04Type:
---AlogP:
5.80Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.28DETAILS
ALA5270332Name:
4-chloro-2-(cyclohexylamino)-5-sulfamoylbenzoic acidMol. Formula:
C13H17ClN2O4SM.W.:
332.81Type:
---AlogP:
2.43Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA5282131Name:
2-(benzylamino)-4-chloro-5-sulfamoylbenzoic acidMol. Formula:
C14H13ClN2O4SM.W.:
340.79Type:
---AlogP:
2.30Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA5281138Name:
4-chloro-2-(dodecylamino)-5-sulfamoylbenzoic acidMol. Formula:
C19H31ClN2O4SM.W.:
418.99Type:
---AlogP:
5.02Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.37DETAILS
ALA5281122Name:
4-chloro-5-sulfamoyl-2-(undecylamino)benzoic acidMol. Formula:
C18H29ClN2O4SM.W.:
404.96Type:
---AlogP:
4.63Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.42DETAILS- ALA5280319
Name:
4-chloro-2-(nonylamino)-5-sulfamoylbenzoic acidMol. Formula:
C16H25ClN2O4SM.W.:
376.91Type:
---AlogP:
3.85Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA5276945
Name:
4-chloro-5-sulfamoyl-2-((thiophen-2-ylmethyl)amino)benzoic acidMol. Formula:
C12H11ClN2O4S2M.W.:
346.82Type:
---AlogP:
2.36Polar Surface Area:
109.49HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA5276914
Name:
2-(butylamino)-4-chloro-5-sulfamoylbenzoic acidMol. Formula:
C11H15ClN2O4SM.W.:
306.77Type:
---AlogP:
1.90Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA5276106
Name:
4-chloro-2-(pentylamino)-5-sulfamoylbenzoic acidMol. Formula:
C12H17ClN2O4SM.W.:
320.80Type:
---AlogP:
2.29Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA5275946
Name:
4-chloro-2-(propylamino)-5-sulfamoylbenzoic acidMol. Formula:
C10H13ClN2O4SM.W.:
292.74Type:
---AlogP:
1.51Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA5275915
Name:
4-chloro-2-(hexylamino)-5-sulfamoylbenzoic acidMol. Formula:
C13H19ClN2O4SM.W.:
334.83Type:
---AlogP:
2.68Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA5275408
Name:
2-(([1,1'-biphenyl]-4-ylmethyl)amino)-4-chloro-5-sulfamoylbenzoic acidMol. Formula:
C20H17ClN2O4SM.W.:
416.89Type:
---AlogP:
3.96Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA5285507
Name:
4-chloro-2-((4-fluorobenzyl)amino)-5-sulfamoylbenzoic acidMol. Formula:
C14H12ClFN2O4SM.W.:
358.78Type:
---AlogP:
2.44Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA5284856
Name:
4-chloro-2-(heptylamino)-5-sulfamoylbenzoic acidMol. Formula:
C14H21ClN2O4SM.W.:
348.85Type:
---AlogP:
3.07Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA5283699
Name:
4-chloro-2-(decylamino)-5-sulfamoylbenzoic acidMol. Formula:
C17H27ClN2O4SM.W.:
390.93Type:
---AlogP:
4.24Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA5283164
Name:
4-chloro-2-((4-chlorobenzyl)amino)-5-sulfamoylbenzoic acidMol. Formula:
C14H12Cl2N2O4SM.W.:
375.23Type:
---AlogP:
2.95Polar Surface Area:
109.49HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
3.96Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
3.83Polar Surface Area:
102.10HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA3979616
Name:
6-hydroxy-2-(2-hydroxybenzylidene)benzofuran-3(2H)-oneMol. Formula:
C15H10O4M.W.:
254.24Type:
Small moleculeAlogP:
2.71Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA3976274
Name:
5-(quinoxalin-5-ylmethylene)thiazolidine-2,4-dioneMol. Formula:
C12H7N3O2SM.W.:
257.27Type:
Small moleculeAlogP:
1.95Polar Surface Area:
71.95HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS
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