Type:
Small moleculeAlogP:
4.63Polar Surface Area:
111.79HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
Small moleculeAlogP:
3.64Polar Surface Area:
109.24HBA:
10HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
Small moleculeAlogP:
5.56Polar Surface Area:
109.68HBA:
11HBD:
---#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
Small moleculeAlogP:
4.54Polar Surface Area:
100.45HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
Small moleculeAlogP:
3.98Polar Surface Area:
100.45HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.22DETAILS-
Type:
Small moleculeAlogP:
4.06Polar Surface Area:
106.44HBA:
10HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
Small moleculeAlogP:
5.29Polar Surface Area:
93.97HBA:
8HBD:
---#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
4.70Polar Surface Area:
93.97HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
4.75Polar Surface Area:
93.97HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
4.36Polar Surface Area:
93.97HBA:
8HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
Small moleculeAlogP:
3.95Polar Surface Area:
92.17HBA:
9HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
1.54Polar Surface Area:
125.02HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
2.11Polar Surface Area:
104.79HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA2436973
Name:
4-((E)-1-Naphthoylhydrazono)ethyl)-5-methylisoxazole-3-carboxylic acidMol. Formula:
C18H15N3O4M.W.:
337.34Type:
Small moleculeAlogP:
2.99Polar Surface Area:
104.79HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
1.84Polar Surface Area:
114.02HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA2436971
Name:
4-((E)-1-(Benzoylhydrazono)ethyl)-5-methylisoxazole-3-carboxylic acidMol. Formula:
C14H13N3O4M.W.:
287.27Type:
Small moleculeAlogP:
1.84Polar Surface Area:
104.79HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.87Polar Surface Area:
104.79HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA1915011
Name:
3,3'-(butane-1,4-diyl)bis(5-(naphthalen-1-yl)imidazolidine-2,4-dione)Mol. Formula:
C30H26N4O4M.W.:
506.56Type:
Small moleculeAlogP:
4.66Polar Surface Area:
98.82HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA1915010
Name:
3,3'-(propane-1,3-diyl)bis(5-(naphthalen-1-yl)imidazolidine-2,4-dione)Mol. Formula:
C29H24N4O4M.W.:
492.54Type:
Small moleculeAlogP:
4.27Polar Surface Area:
98.82HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA1915009
Name:
5,5'-(thiophene-2,5-diyl)diimidazolidine-2,4-dioneMol. Formula:
C10H8N4O4SM.W.:
280.27Type:
Small moleculeAlogP:
-0.49Polar Surface Area:
116.40HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS
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