Type:
Small moleculeAlogP:
3.04Polar Surface Area:
127.91HBA:
11HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
Small moleculeAlogP:
6.26Polar Surface Area:
59.37HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.52DETAILS
ALA4104429Name:
1-benzyl-3-(4-bromo-2-methylphenyl)-1-(1-(pentan-2-yl)piperidin-4-yl)ureaMol. Formula:
C25H34BrN3OM.W.:
472.47Type:
Small moleculeAlogP:
6.44Polar Surface Area:
35.58HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
Small moleculeAlogP:
5.34Polar Surface Area:
54.04HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
Small moleculeAlogP:
2.47Polar Surface Area:
82.81HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS- ALA4104260
Name:
rac-3-(3-Chlorophenyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-oneMol. Formula:
C15H11ClFNO2M.W.:
291.71Type:
Small moleculeAlogP:
4.18Polar Surface Area:
29.54HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS -
Type:
Small moleculeAlogP:
4.16Polar Surface Area:
11.41HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.69Polar Surface Area:
177.20HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
0.78Polar Surface Area:
187.28HBA:
11HBD:
4#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA4104015
Name:
1-benzyl-1-(1-(pentan-2-yl)piperidin-4-yl)-3-(quinolin-6-yl)ureaMol. Formula:
C27H34N4OM.W.:
430.60Type:
Small moleculeAlogP:
5.92Polar Surface Area:
48.47HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
5.73Polar Surface Area:
54.04HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.95Polar Surface Area:
158.18HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.19DETAILS - ALA4103413
Name:
1-benzyl-1-(1-butylpiperidin-4-yl)-3-(3-chloro-4-methylphenyl)ureaMol. Formula:
C24H32ClN3OM.W.:
413.99Type:
Small moleculeAlogP:
5.95Polar Surface Area:
35.58HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.02Polar Surface Area:
113.37HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
3.85Polar Surface Area:
11.41HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4103234
Name:
7-(benzo[d][1,3]dioxol-5-yl)-5-hydroxy-3-methoxyhept-2-enoic acidMol. Formula:
C15H18O6M.W.:
294.30Type:
Small moleculeAlogP:
1.71Polar Surface Area:
85.22HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4103209
Name:
1-benzyl-3-(4-chloro-3-nitrophenyl)-1-(1-(pentan-2-yl)piperidin-4-yl)ureaMol. Formula:
C24H31ClN4O3M.W.:
458.99Type:
Small moleculeAlogP:
5.94Polar Surface Area:
78.72HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
2.92Polar Surface Area:
68.60HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4102261
Name:
1-benzyl-1-(1-(pentan-2-yl)piperidin-4-yl)-3-(p-tolyl)ureaMol. Formula:
C25H35N3OM.W.:
393.58Type:
Small moleculeAlogP:
5.68Polar Surface Area:
35.58HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.66DETAILS
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