ALA5267508Name:
7-(benzyloxy)-2,3-dimethyl-4-oxo-N-(p-tolyl)-4H-chromene-8-carboxamideMol. Formula:
C26H23NO4M.W.:
413.47Type:
---AlogP:
5.55Polar Surface Area:
68.54HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
---AlogP:
6.17Polar Surface Area:
57.76HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.28DETAILS
ALA5266552Name:
3',4,5'-trihydroxy-6-methoxy-2-O-alpha-L-arabinosylbenzophenoneMol. Formula:
C19H20O10M.W.:
408.36Type:
---AlogP:
-0.14Polar Surface Area:
166.14HBA:
10HBD:
6#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA5266265Name:
6-methoxy-2-(1H-1,2,4-triazol-1-yl)-4H-chromen-4-oneMol. Formula:
C12H9N3O3M.W.:
243.22Type:
---AlogP:
1.38Polar Surface Area:
70.15HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS
ALA5220869Name:
6-{[3-(Trifluoromethyl)phenyl]methoxyl}-2H-3,1-benzoxazine-2,4(1H)-dioneMol. Formula:
C16H10F3NO4M.W.:
337.25Type:
---AlogP:
3.08Polar Surface Area:
72.30HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS- ALA5220349
Name:
6-[(3-Iodophenyl)methoxyl]-2H-3,1-benzoxazine-2,4(1H)-dioneMol. Formula:
C15H10INO4M.W.:
395.15Type:
---AlogP:
2.66Polar Surface Area:
72.30HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA5220277
Name:
6-[(4-Methylphenyl)methoxy]-2H-3,1-benzoxazine-2,4(1H)-dioneMol. Formula:
C16H13NO4M.W.:
283.28Type:
---AlogP:
2.37Polar Surface Area:
72.30HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA5220071
Name:
6-[(3-Bromophenyl)methoxy]-2H-3,1-benzoxazine-2,4(1H)-dioneMol. Formula:
C15H10BrNO4M.W.:
348.15Type:
---AlogP:
2.82Polar Surface Area:
72.30HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
---AlogP:
5.68Polar Surface Area:
27.63HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
---AlogP:
5.78Polar Surface Area:
57.76HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
---AlogP:
4.52Polar Surface Area:
27.63HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS - ALA5278774
Name:
(E)-4-((2-(6-ethoxy-3-nitropyridin-2-yl)hydrazono)methyl)phenolMol. Formula:
C14H14N4O4M.W.:
302.29Type:
---AlogP:
2.54Polar Surface Area:
109.88HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA5278614
Name:
(2Z)-2-(indol-1-ylmethylene)-6-methoxy-benzofuran-3-oneMol. Formula:
C18H13NO3M.W.:
291.31Type:
---AlogP:
3.72Polar Surface Area:
40.46HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
---AlogP:
3.79Polar Surface Area:
27.63HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA5276356
Name:
6-ethoxy-3-nitro-2-(2-(4-(trifluoromethyl)benzylidene)hydrazineyl)pyridineMol. Formula:
C15H13F3N4O3M.W.:
354.29Type:
---AlogP:
3.85Polar Surface Area:
89.65HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
---AlogP:
4.04Polar Surface Area:
27.63HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
---AlogP:
5.61Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.34DETAILS -
Type:
---AlogP:
5.38Polar Surface Area:
36.86HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
---AlogP:
-0.44Polar Surface Area:
177.14HBA:
10HBD:
7#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA5291452
Name:
N-ethyl-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carbothioamideMol. Formula:
C18H18FN3SM.W.:
327.43Type:
---AlogP:
3.87Polar Surface Area:
27.63HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS
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