Type:
UnknownAlogP:
3.82Polar Surface Area:
114.31HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.23DETAILS
Type:
UnknownAlogP:
4.47Polar Surface Area:
114.31HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
UnknownAlogP:
6.67Polar Surface Area:
108.03HBA:
9HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.11DETAILS
Type:
UnknownAlogP:
5.93Polar Surface Area:
116.62HBA:
10HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
UnknownAlogP:
1.98Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.81DETAILS-
Type:
UnknownAlogP:
2.54Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
2.13Polar Surface Area:
51.32HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.83DETAILS -
Type:
UnknownAlogP:
2.86Polar Surface Area:
32.86HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.84DETAILS -
Type:
UnknownAlogP:
2.15Polar Surface Area:
42.09HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.76DETAILS - ALA4756967
Name:
3-((Ethylthio)methyl)-4-methylquinolin-2(1H)-oneMol. Formula:
C13H15NOSM.W.:
233.34Type:
UnknownAlogP:
3.09Polar Surface Area:
32.86HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA4753760
Name:
4-Methyl-3-((methylthio)methyl)quinolin-2(1H)-oneMol. Formula:
C12H13NOSM.W.:
219.31Type:
UnknownAlogP:
2.70Polar Surface Area:
32.86HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.84DETAILS - ALA4752508
Name:
(E)-2-(Hept-2-en-1-yl)-1-methylquinolin-4(1H)-oneMol. Formula:
C17H21NOM.W.:
255.36Type:
UnknownAlogP:
3.83Polar Surface Area:
22.00HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4749297
Name:
3-((Dimethylamino)methyl)-4-methylquinolin-2(1H)-oneMol. Formula:
C13H16N2OM.W.:
216.28Type:
UnknownAlogP:
1.90Polar Surface Area:
36.10HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.83DETAILS -
Type:
UnknownAlogP:
7.43Polar Surface Area:
108.03HBA:
9HBD:
---#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
UnknownAlogP:
2.91Polar Surface Area:
51.32HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
UnknownAlogP:
6.34Polar Surface Area:
106.40HBA:
11HBD:
---#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA4589499
Name:
1,3-bis(8-(3-benzylguanidino)octyl)-1,3-bis(8-guanidinooctyl)ureaMol. Formula:
C51H92N14OM.W.:
917.39Type:
UnknownAlogP:
8.67Polar Surface Area:
243.17HBA:
5HBD:
12#RO5 Violations:
3#Rotatable Bonds:
40Passes Ro3:
NQED Weighted:
0.02DETAILS - ALA4583313
Name:
1,1,3-tris(6-(3-ethylguanidino)hexyl)-3-(6-guanidinohexyl)ureaMol. Formula:
C35H76N14OM.W.:
709.09Type:
UnknownAlogP:
3.84Polar Surface Area:
229.18HBA:
5HBD:
12#RO5 Violations:
2#Rotatable Bonds:
31Passes Ro3:
NQED Weighted:
0.03DETAILS - ALA4579752
Name:
1,3-bis(8-(3-ethylguanidino)octyl)-1,3-bis(8-guanidinooctyl)ureaMol. Formula:
C41H88N14OM.W.:
793.25Type:
UnknownAlogP:
6.31Polar Surface Area:
243.17HBA:
5HBD:
12#RO5 Violations:
3#Rotatable Bonds:
38Passes Ro3:
NQED Weighted:
0.02DETAILS - ALA4579643
Name:
1,1,3,3-tetrakis(8-(3-benzylguanidino)octyl)ureaMol. Formula:
C65H104N14OM.W.:
1097.64Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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