Type:
Small moleculeAlogP:
6.35Polar Surface Area:
75.63HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.23DETAILS
ALA4524110Name:
(E)-(S)-O-(2-Dec-3-enamidoisohexyl) phosphocholineMol. Formula:
C21H43N2O5PM.W.:
434.56Type:
UnknownAlogP:
3.64Polar Surface Area:
87.69HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.16DETAILS
ALA4524081Name:
(S)-O-(2-Hexadecanamidoisohexyl) phosphocholineMol. Formula:
C27H57N2O5PM.W.:
520.74Type:
UnknownAlogP:
6.21Polar Surface Area:
87.69HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.09DETAILS
Type:
Small moleculeAlogP:
7.71Polar Surface Area:
86.58HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
Small moleculeAlogP:
7.70Polar Surface Area:
86.58HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.14DETAILS-
Type:
Small moleculeAlogP:
6.53Polar Surface Area:
86.58HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
3.25Polar Surface Area:
145.47HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
6.76Polar Surface Area:
145.47HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
6.92Polar Surface Area:
145.47HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
6.76Polar Surface Area:
145.47HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
6.92Polar Surface Area:
145.47HBA:
9HBD:
2#RO5 Violations:
2#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
10.50Polar Surface Area:
86.58HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
10.50Polar Surface Area:
86.58HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.05DETAILS -
Type:
Small moleculeAlogP:
9.65Polar Surface Area:
86.58HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
29Passes Ro3:
NQED Weighted:
0.10DETAILS -
Type:
Small moleculeAlogP:
5.49Polar Surface Area:
97.58HBA:
6HBD:
2#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
7.24Polar Surface Area:
86.58HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.15DETAILS -
Type:
Small moleculeAlogP:
5.68Polar Surface Area:
86.58HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
5.75Polar Surface Area:
86.58HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
5.86Polar Surface Area:
86.58HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA199803
Name:
1,12-Bis(triisopentyl ammonium)dodecane dichlorideMol. Formula:
C42H90Cl2N2M.W.:
694.10Type:
Small moleculeAlogP:
12.80Polar Surface Area:
0.00HBA:
---HBD:
---#RO5 Violations:
2#Rotatable Bonds:
31Passes Ro3:
NQED Weighted:
0.05DETAILS
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