Type:
Small moleculeAlogP:
-1.66Polar Surface Area:
161.21HBA:
11HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS
Type:
Small moleculeAlogP:
-0.24Polar Surface Area:
199.90HBA:
14HBD:
5#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.13DETAILS
ALA1078908Name:
10-(6-O-trans-sinapoylglucopyranosyl)gardendiolMol. Formula:
C27H34O13M.W.:
566.56Type:
Small moleculeAlogP:
-0.48Polar Surface Area:
190.67HBA:
13HBD:
5#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.14DETAILS
ALA1078907Name:
11-(6-O-trans-sinapoylglucopyranosyl)gardendiolMol. Formula:
C27H34O13M.W.:
566.56Type:
Small moleculeAlogP:
-0.48Polar Surface Area:
190.67HBA:
13HBD:
5#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.14DETAILS
Type:
Small moleculeAlogP:
-1.66Polar Surface Area:
161.21HBA:
11HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS-
Type:
Small moleculeAlogP:
-1.81Polar Surface Area:
198.51HBA:
12HBD:
5#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
-0.26Polar Surface Area:
181.44HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.17DETAILS -
Type:
---AlogP:
3.28Polar Surface Area:
99.26HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
UnknownAlogP:
4.83Polar Surface Area:
119.34HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA3594293
Name:
1-(3,5-dichloro-2,4,6-trihydroxyphenyl)nonan-1-oneMol. Formula:
C15H20Cl2O4M.W.:
335.23Type:
Small moleculeAlogP:
5.04Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA3594292
Name:
1-(3,5-dichloro-2,4,6-trihydroxyphenyl)octan-1-oneMol. Formula:
C14H18Cl2O4M.W.:
321.20Type:
Small moleculeAlogP:
4.65Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA3594291
Name:
1-(3,5-dichloro-2,4,6-trihydroxyphenyl)butan-1-oneMol. Formula:
C10H10Cl2O4M.W.:
265.09Type:
Small moleculeAlogP:
3.09Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA3594290
Name:
1-(3,5-dichloro-2,4,6-trimethoxyphenyl)octan-1-oneMol. Formula:
C17H24Cl2O4M.W.:
363.28Type:
Small moleculeAlogP:
5.56Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
5.17Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
4.39Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA3594287
Name:
1-(3,5-dichloro-2,4,6-trimethoxyphenyl)butan-1-oneMol. Formula:
C13H16Cl2O4M.W.:
307.17Type:
Small moleculeAlogP:
4.00Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
4.48Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3594285
Name:
4,6-dichloro-2-hexyl-5-methoxybenzene-1,3-diolMol. Formula:
C13H18Cl2O3M.W.:
293.19Type:
Small moleculeAlogP:
4.54Polar Surface Area:
49.69HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA3594284
Name:
1-(3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-oneCas Number:
118222-71-2Mol. Formula:
C12H14Cl2O4M.W.:
293.15Type:
Small moleculeAlogP:
3.87Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA3594283
Name:
1-(3,5-dichloro-2,4,6-trimethoxyphenyl)hexan-1-oneMol. Formula:
C15H20Cl2O4M.W.:
335.23Type:
Small moleculeAlogP:
4.78Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.51DETAILS
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