Type:
Small moleculeAlogP:
0.56Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.57DETAILS
ALA170885Name:
Hexadecanoic acid 1-aminomethyl-2-carboxy-ethyl esterMol. Formula:
C20H39NO4M.W.:
357.54Type:
Small moleculeAlogP:
4.81Polar Surface Area:
89.62HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.27DETAILS
ALA170572Name:
(1R,2R)-2-carboxy-N,N,N-trimethylcyclohexanaminium chlorideMol. Formula:
C10H20ClNO2M.W.:
221.73Type:
Small moleculeAlogP:
1.34Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.66DETAILS
DL-CarnitineName:
(carnitine)3-hydroxy-4-trimethylammoniobutanoateMol. Formula:
C7H15NO3M.W.:
161.20Type:
Small moleculeAlogP:
-1.81Polar Surface Area:
60.36HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA352878Name:
2-Carboxy-4-hexadecanoyloxy-1,1-dimethyl-pyrrolidinium chlorideMol. Formula:
C23H44ClNO4M.W.:
434.06Type:
Small moleculeAlogP:
5.31Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.22DETAILS-
Type:
Small moleculeAlogP:
0.70Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.57DETAILS - trans-4-Hydroxy-L-proline
Name:
4-Hydroxy-pyrrolidine-2-carboxylic acidMol. Formula:
C5H9NO3M.W.:
131.13Type:
Small moleculeAlogP:
-1.21Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
-1.02Polar Surface Area:
40.13HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.44DETAILS - ALA171491
Name:
2-Carboxy-4-hydroxy-1,1-dimethyl-pyrrolidinium chlorideMol. Formula:
C7H14ClNO3M.W.:
195.65Type:
Small moleculeAlogP:
-0.72Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.50DETAILS
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