Type:
---AlogP:
0.27Polar Surface Area:
183.21HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
---AlogP:
-2.37Polar Surface Area:
239.22HBA:
14HBD:
10#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
---AlogP:
0.27Polar Surface Area:
183.21HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
---AlogP:
-0.08Polar Surface Area:
183.21HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
---AlogP:
0.27Polar Surface Area:
183.21HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS-
Type:
---AlogP:
-0.08Polar Surface Area:
183.21HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA5207605
Name:
7-hydroxy-6,8-bis(3-methylbut-2-en-1-yl)-2H-chromen-2-oneMol. Formula:
C19H22O3M.W.:
298.38Type:
---AlogP:
4.52Polar Surface Area:
50.44HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA5203645
Name:
(S)-2-acetyl-2,3-dihydro-7H-furo[3,2-g]chromen-7-oneMol. Formula:
C13H10O4M.W.:
230.22Type:
---AlogP:
1.69Polar Surface Area:
56.51HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
---AlogP:
4.84Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA5196422
Name:
3-hydroxy-8,8-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-oneMol. Formula:
C14H14O4M.W.:
246.26Type:
---AlogP:
2.60Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
---AlogP:
2.82Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
---AlogP:
1.36Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA5189977
Name:
(S)-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-oneMol. Formula:
C14H12O4M.W.:
244.25Type:
---AlogP:
1.64Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA5182080
Name:
(R)-7-hydroxy-6-(3-hydroxy-2-methoxy-3-methylbutyl)-2H-chromen-2-oneMol. Formula:
C15H18O5M.W.:
278.30Type:
---AlogP:
1.83Polar Surface Area:
79.90HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA5181220
Name:
(S)-4-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-oneMol. Formula:
C14H12O4M.W.:
244.25Type:
---AlogP:
2.38Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
---AlogP:
2.64Polar Surface Area:
90.90HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA5176175
Name:
3-methoxy-8,8-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-oneMol. Formula:
C15H16O4M.W.:
260.29Type:
---AlogP:
2.91Polar Surface Area:
48.67HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
-0.55Polar Surface Area:
310.41HBA:
19HBD:
8#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA4569229
Name:
Polylauioid D; (4->2)-abeo-16beta-methoxycleroda-2,13-dien-15,16-olideMol. Formula:
C21H30O4M.W.:
346.47Type:
UnknownAlogP:
4.20Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
UnknownAlogP:
-1.03Polar Surface Area:
327.48HBA:
20HBD:
8#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.15DETAILS
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