Type:
---AlogP:
6.44Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA5279417Name:
5-(3,4-dihydroxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trioneMol. Formula:
C13H12N2O5M.W.:
276.25Type:
---AlogP:
0.53Polar Surface Area:
98.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.44DETAILS
Type:
---AlogP:
6.44Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS
ALA5274870Name:
22R,25-Epoxy-3,4-secolanosta-4(28),7,9(11)-trien-3-oic AcidMol. Formula:
C30H46O3M.W.:
454.70Type:
---AlogP:
7.73Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS
Type:
---AlogP:
1.13Polar Surface Area:
77.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS-
Type:
---AlogP:
7.69Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
---AlogP:
6.44Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA5287271
Name:
5-(2,3-dihydroxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trioneMol. Formula:
C13H12N2O5M.W.:
276.25Type:
---AlogP:
0.53Polar Surface Area:
98.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
---AlogP:
6.44Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
---AlogP:
6.66Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5316223
Name:
5-(2-hydroxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trioneMol. Formula:
C13H12N2O4M.W.:
260.25Type:
---AlogP:
0.83Polar Surface Area:
77.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
---AlogP:
7.69Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
---AlogP:
6.66Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
---AlogP:
7.47Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
---AlogP:
7.47Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
---AlogP:
6.87Polar Surface Area:
130.13HBA:
9HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
---AlogP:
7.50Polar Surface Area:
208.39HBA:
12HBD:
2#RO5 Violations:
3#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA5196517
Name:
2-(hydroxymethyl)-9H-pyrido[2,3-b]indole-3-carboxylic acidMol. Formula:
C13H10N2O3M.W.:
242.23Type:
---AlogP:
1.91Polar Surface Area:
86.21HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA5203466
Name:
3,5-dihydro-1H-furo[3',4':5,6]pyrido[2,3-b]indol-1-oneMol. Formula:
C13H8N2O2M.W.:
224.22Type:
---AlogP:
2.39Polar Surface Area:
54.98HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.60DETAILS
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