Type:
---AlogP:
-0.77Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.47DETAILS
ALA5202712Name:
4-C-p-Methoxyphenyl-1,4-dideoxy-1,4-imino-L-arabinitolMol. Formula:
C12H17NO4M.W.:
239.27Type:
---AlogP:
-0.79Polar Surface Area:
81.95HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
---AlogP:
1.18Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.47DETAILS
Type:
---AlogP:
-0.80Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
Small moleculeAlogP:
0.32Polar Surface Area:
156.91HBA:
9HBD:
6#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.41DETAILS- ALA3311519
Name:
1-{4-(3,5-Difluorophenyl)butyl}-L-arabino-iminofuranoseMol. Formula:
C15H21F2NO3M.W.:
301.33Type:
Small moleculeAlogP:
0.73Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA3311518
Name:
1-{4-(4-Fluorophenyl)butyl}-L-arabino-iminofuranoseMol. Formula:
C15H22FNO3M.W.:
283.34Type:
Small moleculeAlogP:
0.59Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA3311517
Name:
1-{4-(4-Hydroxyphenyl)butyl}-L-arabino-iminofuranoseMol. Formula:
C15H23NO4M.W.:
281.35Type:
Small moleculeAlogP:
0.16Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA3311516
Name:
1-{4-(p-Methoxyphenyl)butyl}-L-arabino-iminofuranoseMol. Formula:
C16H25NO4M.W.:
295.38Type:
Small moleculeAlogP:
0.46Polar Surface Area:
81.95HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA3311515
Name:
1-{4-(4-Methylphenyl)butyl}-L-arabino-iminofuranoseMol. Formula:
C16H25NO3M.W.:
279.38Type:
Small moleculeAlogP:
0.76Polar Surface Area:
72.72HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA2259857
Name:
(E)-1-(4-hydroxybenzofuran-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-oneMol. Formula:
C18H14O4M.W.:
294.31Type:
Small moleculeAlogP:
4.04Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS - ALA2259850
Name:
(E)-1-(6-hydroxybenzofuran-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-oneMol. Formula:
C18H14O4M.W.:
294.31Type:
Small moleculeAlogP:
4.04Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.15Polar Surface Area:
41.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA2238552
Name:
4-bromo-2-(4-bromo-2-hydroxybenzylideneamino)phenylimino)methyl)phenolMol. Formula:
C20H14Br2N2O2M.W.:
474.15Type:
Small moleculeAlogP:
6.12Polar Surface Area:
65.18HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
24.72HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
2.96Polar Surface Area:
118.87HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA2236407
Name:
4-bromo-2-((4-methoxyphenylimino)methyl)phenolMol. Formula:
C14H12BrNO2M.W.:
306.16Type:
Small moleculeAlogP:
3.91Polar Surface Area:
41.82HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
Small moleculeAlogP:
3.91Polar Surface Area:
32.59HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
3.15Polar Surface Area:
41.82HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
-6.02Polar Surface Area:
228.27HBA:
12HBD:
8#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.09DETAILS
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