ALA1785009Name:
E/Z-ethyl 2-methoxy-6-(10-(tetrahydro-2H-pyran-2-yloxy)dec-1-enyl)benzoateMol. Formula:
C25H38O5M.W.:
418.57Type:
Small moleculeAlogP:
6.16Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.27DETAILS
ALA1785008Name:
E/Z-ethyl 2-methoxy-6-(8-(tetrahydro-2H-pyran-2-yloxy)oct-1-enyl)benzoateMol. Formula:
C23H34O5M.W.:
390.52Type:
Small moleculeAlogP:
5.38Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA1785007Name:
E/Z-ethyl 2-methoxy-6-(6-(tetrahydro-2H-pyran-2-yloxy)hex-1-enyl)benzoateMol. Formula:
C21H30O5M.W.:
362.47Type:
Small moleculeAlogP:
4.60Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.45DETAILS
Type:
Small moleculeAlogP:
3.17Polar Surface Area:
74.60HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
Small moleculeAlogP:
4.38Polar Surface Area:
57.53HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.65DETAILS-
Type:
Small moleculeAlogP:
2.19Polar Surface Area:
77.76HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.75Polar Surface Area:
77.76HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
77.76HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
6.03Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.35DETAILS -
Type:
Small moleculeAlogP:
4.86Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
4.22Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
3.44Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
2.66Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
6.34Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
5.17Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA1784980
Name:
ethyl 2-methoxy-6-(10-(tetrahydro-2H-pyran-2-yloxy)decyl)benzoateMol. Formula:
C25H40O5M.W.:
420.59Type:
Small moleculeAlogP:
6.08Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
15Passes Ro3:
NQED Weighted:
0.25DETAILS - ALA1784979
Name:
ethyl 2-methoxy-6-(8-(tetrahydro-2H-pyran-2-yloxy)octyl)benzoateMol. Formula:
C23H36O5M.W.:
392.54Type:
Small moleculeAlogP:
5.30Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA1784978
Name:
ethyl 2-methoxy-6-(6-(tetrahydro-2H-pyran-2-yloxy)hexyl)benzoateMol. Formula:
C21H32O5M.W.:
364.48Type:
Small moleculeAlogP:
4.52Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
6.42Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
5.25Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.44DETAILS
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