ALA5200902Name:
3,5,6,7-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-oneMol. Formula:
C15H10O9M.W.:
334.24Type:
---AlogP:
1.40Polar Surface Area:
171.82HBA:
9HBD:
7#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.32DETAILS
Type:
---AlogP:
1.19Polar Surface Area:
171.82HBA:
9HBD:
7#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
UnknownAlogP:
3.59Polar Surface Area:
85.00HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS
ALA4855763Name:
N4-(1H-benzo[d]imidazol-6-yl)-5-nitro-N2-m-tolylpyrimidine-2,4-diamineMol. Formula:
C18H15N7O2M.W.:
361.37Type:
UnknownAlogP:
4.06Polar Surface Area:
121.66HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS
Type:
UnknownAlogP:
3.90Polar Surface Area:
85.00HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS- ALA4800639
Name:
(Z)-3-(2-(3-aminophenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-oneMol. Formula:
C16H13N3O2M.W.:
279.30Type:
UnknownAlogP:
2.40Polar Surface Area:
84.22HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4799531
Name:
(Z)-3-(2-(2-bromophenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-oneMol. Formula:
C16H11BrN2O2M.W.:
343.18Type:
UnknownAlogP:
3.58Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
UnknownAlogP:
3.84Polar Surface Area:
81.99HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
2.42Polar Surface Area:
79.46HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
3.34Polar Surface Area:
81.99HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
3.45Polar Surface Area:
81.99HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
UnknownAlogP:
2.33Polar Surface Area:
112.97HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4789089
Name:
(Z)-3-(2-oxo-2-(o-tolyl)ethylidene)-3,4-dihydroquinoxalin-2(1H)-oneMol. Formula:
C17H14N2O2M.W.:
278.31Type:
UnknownAlogP:
3.13Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA4788894
Name:
(Z)-3-(2-oxo-2-(m-tolyl)ethylidene)-3,4-dihydroquinoxalin-2(1H)-oneMol. Formula:
C17H14N2O2M.W.:
278.31Type:
UnknownAlogP:
3.13Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA4785607
Name:
(Z)-3-(2-(2-methoxyphenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-oneMol. Formula:
C17H14N2O3M.W.:
294.31Type:
UnknownAlogP:
2.83Polar Surface Area:
67.43HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4782208
Name:
(Z)-3-(2-(2-chlorophenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-oneMol. Formula:
C16H11ClN2O2M.W.:
298.73Type:
UnknownAlogP:
3.47Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
4.12Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA4781949
Name:
(Z)-3-(2-(3-methoxyphenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-oneMol. Formula:
C17H14N2O3M.W.:
294.31Type:
UnknownAlogP:
2.83Polar Surface Area:
67.43HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA4780101
Name:
(Z)-3-(2-(2-aminophenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-oneMol. Formula:
C16H13N3O2M.W.:
279.30Type:
UnknownAlogP:
2.40Polar Surface Area:
84.22HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4777530
Name:
(Z)-3-(2-(3-chlorophenyl)-2-oxoethylidene)-3,4-dihydroquinoxalin-2(1H)-oneMol. Formula:
C16H11ClN2O2M.W.:
298.73Type:
UnknownAlogP:
3.47Polar Surface Area:
58.20HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS
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