ALA483974Name:
5-hydroxy-8-methyl-4-propyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dioneMol. Formula:
C16H16O5M.W.:
288.30Type:
Small moleculeAlogP:
2.80Polar Surface Area:
76.74HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS
ALA454274Name:
1,1'-(biphenyl-4,4'-diyl)bis(2,2-dihydroxyethanone)Mol. Formula:
C16H14O6M.W.:
302.28Type:
Small moleculeAlogP:
0.34Polar Surface Area:
115.06HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
Small moleculeAlogP:
4.84Polar Surface Area:
92.67HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA484806Name:
sodium 2,2'-(biphenyl-4,4'-diyl)bis(1-hydroxy-2-oxoethanesulfonate)Mol. Formula:
C16H12Na2O10S2M.W.:
474.38Type:
Small moleculeAlogP:
0.13Polar Surface Area:
183.34HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA510105Name:
Ala-Ala-Leu-Val-Arg-Gln-Met-Ser-Val-Ala-Phe-Phe-Phe-LysMol. Formula:
C77H119N19O17SM.W.:
1614.98Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
Small moleculeAlogP:
5.39Polar Surface Area:
100.87HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
5.44Polar Surface Area:
104.03HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA498813
Name:
4-ethyl-5-hydroxy-8-methyl-7,8-dihydropyrano[3,2-g]chromene-2,6-dioneMol. Formula:
C15H14O5M.W.:
274.27Type:
Small moleculeAlogP:
2.41Polar Surface Area:
76.74HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
2.54Polar Surface Area:
76.74HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA502843
Name:
1,3-dihydroxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-oneMol. Formula:
C13H12O4M.W.:
232.24Type:
Small moleculeAlogP:
2.08Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
3.10Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
1.29Polar Surface Area:
164.61HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA499638
Name:
3-chloro-5,7-dihydroxy-4-propyl-2H-chromen-2-oneMol. Formula:
C12H11ClO4M.W.:
254.67Type:
Small moleculeAlogP:
2.81Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS
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