Type:
---AlogP:
-0.48Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
---AlogP:
-0.87Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA1939886Name:
(S)-1,1,1-trifluoro-4,5-dihydroxypentane-2,3-dioneMol. Formula:
C5H5F3O4M.W.:
186.08Type:
Small moleculeAlogP:
-0.96Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
-0.72Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS-
Type:
Small moleculeAlogP:
0.45Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
-1.11Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
-0.33Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
0.06Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
0.84Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA535194
Name:
5-(2-aminoethyl)benzene-1,2,3-triol hydrochlorideCas Number:
5720-26-3Mol. Formula:
C8H12ClNO3M.W.:
205.64Type:
Small moleculeAlogP:
0.30Polar Surface Area:
86.71HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA1527
Name:
phenyl(2,3,4-trihydroxyphenyl)methanoneCas Number:
1143-72-2Mol. Formula:
C13H10O4M.W.:
230.22Type:
Small moleculeAlogP:
2.03Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA254710
Name:
3,4,5-trihydroxybenzaldehydeCas Number:
13677-79-7Mol. Formula:
C7H6O4M.W.:
154.12Type:
Small moleculeAlogP:
0.62Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA400737
Name:
4,6-dinitrobenzene-1,2,3-triolCas Number:
3264-71-9Mol. Formula:
C6H4N2O7M.W.:
216.10Type:
Small moleculeAlogP:
0.62Polar Surface Area:
146.97HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
0.62Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.41DETAILS
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