Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS- ALA4748438
Name:
1,2,3,9-tetramethoxy-6-methylene-5H-cyclohepta[a]naphthalen-8(6H)-oneMol. Formula:
C20H20O5M.W.:
340.38Type:
UnknownAlogP:
3.32Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
UnknownAlogP:
4.56Polar Surface Area:
69.67HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA4105506
Name:
(R*)-6-Chloro-3-methylene-4-((S*)-2-oxocyclohexyl)-chroman-2-oneMol. Formula:
C16H15ClO3M.W.:
290.75Type:
Small moleculeAlogP:
3.66Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4104554
Name:
(R*)-3-Methylene-4-((R*)-4-oxotetrahydro-2H-pyran-3-yl)-chroman-2-oneMol. Formula:
C15H14O4M.W.:
258.27Type:
Small moleculeAlogP:
1.85Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
3.31Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.70Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.31Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4090060
Name:
(R*)-8-Methoxy-3-methylene-4-((S*)-2-oxocyclopentyl)-chroman-2-oneMol. Formula:
C16H16O4M.W.:
272.30Type:
Small moleculeAlogP:
2.62Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4089121
Name:
(R*)-6-Chloro-3-methylene-4-((S*)-2-oxocyclopentyl)-chroman-2-oneMol. Formula:
C15H13ClO3M.W.:
276.72Type:
Small moleculeAlogP:
3.27Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4086655
Name:
(R)-3-methylene-4-((S)-1-oxo-2,3-dihydro-1H-inden-2-yl)chroman-2-oneMol. Formula:
C19H14O3M.W.:
290.32Type:
Small moleculeAlogP:
3.30Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
4.35Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4081255
Name:
(R*)-8-Methoxy-3-methylene-4-((S*)-2-oxocyclohexyl)-chroman-2-oneMol. Formula:
C17H18O4M.W.:
286.33Type:
Small moleculeAlogP:
3.01Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
Small moleculeAlogP:
3.95Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4067918
Name:
(R)-3-methylene-4-((S)-2-oxocyclohexyl)chroman-2-oneMol. Formula:
C16H16O3M.W.:
256.30Type:
Small moleculeAlogP:
3.00Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
61.83HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.47DETAILS
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