Type:
---AlogP:
3.12Polar Surface Area:
62.66HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS
ALA5274808Name:
(2Z)-2-[[5-(hydroxymethyl)-2-furyl]methylene]benzofuran-3-oneMol. Formula:
C14H10O4M.W.:
242.23Type:
---AlogP:
2.39Polar Surface Area:
59.67HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.82DETAILS
Type:
---AlogP:
1.86Polar Surface Area:
100.21HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS
Type:
---AlogP:
3.95Polar Surface Area:
88.02HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
---AlogP:
2.42Polar Surface Area:
141.92HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS- ALA5208433
Name:
4-(2-Azepan-1-ylethoxy)-6-propoxy-2-(4-propoxyphenyl)quinolineMol. Formula:
C29H38N2O3M.W.:
462.63Type:
---AlogP:
6.73Polar Surface Area:
43.82HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
---AlogP:
3.03Polar Surface Area:
118.54HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
---AlogP:
2.42Polar Surface Area:
141.92HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
---AlogP:
2.47Polar Surface Area:
134.08HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
---AlogP:
2.89Polar Surface Area:
118.29HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
---AlogP:
4.19Polar Surface Area:
73.95HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
---AlogP:
3.90Polar Surface Area:
113.24HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
---AlogP:
3.65Polar Surface Area:
91.41HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
---AlogP:
4.51Polar Surface Area:
113.24HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
---AlogP:
3.00Polar Surface Area:
122.47HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
---AlogP:
4.00Polar Surface Area:
105.40HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
---AlogP:
3.73Polar Surface Area:
115.68HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
---AlogP:
2.42Polar Surface Area:
141.92HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA5195581
Name:
2-(2-Oxo-2-(4-(pyridin-4-yl)piperazin-1-yl)ethyl)isoindoline-1,3-dioneMol. Formula:
C19H18N4O3M.W.:
350.38Type:
---AlogP:
1.03Polar Surface Area:
73.82HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
---AlogP:
4.59Polar Surface Area:
115.68HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.33DETAILS
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