ALA4879279Name:
N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)-4-(pentyloxy)benzamideMol. Formula:
C29H49NO3M.W.:
459.72Type:
UnknownAlogP:
7.60Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
UnknownAlogP:
6.07Polar Surface Area:
77.02HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.15DETAILS
Type:
UnknownAlogP:
6.81Polar Surface Area:
77.02HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
UnknownAlogP:
7.20Polar Surface Area:
77.02HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.09DETAILS
ALA4876146Name:
N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)-4-pentylbenzamideMol. Formula:
C29H49NO2M.W.:
443.72Type:
UnknownAlogP:
7.77Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.17DETAILS-
Type:
UnknownAlogP:
6.03Polar Surface Area:
77.02HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA4873419
Name:
4-ethyl-N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)benzamideMol. Formula:
C26H43NO2M.W.:
401.64Type:
UnknownAlogP:
6.60Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
UnknownAlogP:
7.98Polar Surface Area:
77.02HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
26Passes Ro3:
NQED Weighted:
0.07DETAILS - ALA4866554
Name:
4-hexyl-N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)benzamideMol. Formula:
C30H51NO2M.W.:
457.74Type:
UnknownAlogP:
8.16Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.15DETAILS - D-erythro-N-[2-(1,3-dihydroxy-4E-octadecene)]-N'-hexane-urea-sphingosine
Name:
D-etythro-N-[2-(1,3-dihydroxy-4E-octadecene)]-N'-hexane-urea-sphingosineMol. Formula:
C25H50N2O3M.W.:
426.69Type:
UnknownAlogP:
5.85Polar Surface Area:
81.59HBA:
3HBD:
4#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA4865548
Name:
N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)octanamideMol. Formula:
C25H49NO2M.W.:
395.67Type:
UnknownAlogP:
7.08Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA4863641
Name:
4-tert-butyl-N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)benzamideMol. Formula:
C28H47NO2M.W.:
429.69Type:
UnknownAlogP:
7.33Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA4863570
Name:
N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)benzamideMol. Formula:
C24H39NO2M.W.:
373.58Type:
UnknownAlogP:
6.03Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
UnknownAlogP:
6.42Polar Surface Area:
77.02HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.11DETAILS - ALA4853829
Name:
4-(hexyloxy)-N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)benzamideMol. Formula:
C30H51NO3M.W.:
473.74Type:
UnknownAlogP:
7.99Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA4851783
Name:
4-(heptyloxy)-N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)benzamideMol. Formula:
C31H53NO3M.W.:
487.77Type:
UnknownAlogP:
8.38Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
22Passes Ro3:
NQED Weighted:
0.13DETAILS - ALA4848748
Name:
N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)-4-propylbenzamideMol. Formula:
C27H45NO2M.W.:
415.66Type:
UnknownAlogP:
6.99Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA4848172
Name:
4-heptyl-N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)benzamideMol. Formula:
C31H53NO2M.W.:
471.77Type:
UnknownAlogP:
8.55Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
21Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA4846548
Name:
N-((2R,3R,E)-3-hydroxyheptadec-4-en-2-yl)-4-(methoxymethoxy)benzamideMol. Formula:
C26H43NO4M.W.:
433.63Type:
UnknownAlogP:
6.02Polar Surface Area:
67.79HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.17DETAILS - ALA2333181
Name:
N-((R)-3-hydroxy-1-(4-nitrophenyl)-1-oxopropan-2-yl)tetradecanamideMol. Formula:
C23H36N2O5M.W.:
420.55Type:
Small moleculeAlogP:
4.96Polar Surface Area:
109.54HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.16DETAILS
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