ALA3100024Name:
trans-1-(2-bromophenyl)-3-(4-(4-fluorophenoxy)cyclohexyl)ureaMol. Formula:
C19H20BrFN2O2M.W.:
407.28Type:
Small moleculeAlogP:
5.10Polar Surface Area:
50.36HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA3100022Name:
trans-1-(3-chlorophenyl)-3-(4-(4-fluorophenoxy)cyclohexyl)ureaMol. Formula:
C19H20ClFN2O2M.W.:
362.83Type:
Small moleculeAlogP:
4.99Polar Surface Area:
50.36HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA3100021Name:
trans-1-(2-chlorophenyl)-3-(4-(4-fluorophenoxy)cyclohexyl)ureaMol. Formula:
C19H20ClFN2O2M.W.:
362.83Type:
Small moleculeAlogP:
4.99Polar Surface Area:
50.36HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA3100019Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-(3-fluorophenyl)ureaMol. Formula:
C19H20F2N2O2M.W.:
346.38Type:
Small moleculeAlogP:
4.48Polar Surface Area:
50.36HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS
Type:
Small moleculeAlogP:
6.24Polar Surface Area:
50.36HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS-
Type:
Small moleculeAlogP:
6.24Polar Surface Area:
50.36HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
6.24Polar Surface Area:
50.36HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
6.12Polar Surface Area:
59.59HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA3100014
Name:
trans-1-(4-(4-Chlorophenoxy)cyclohexyl)-3-(3-(trifluoromethyl)-phenyl)ureaMol. Formula:
C20H20ClF3N2O2M.W.:
412.84Type:
Small moleculeAlogP:
5.87Polar Surface Area:
50.36HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.66DETAILS - ALA3100013
Name:
trans-1-(4-(3-Fluorophenoxy)cyclohexyl)-3-(3-(trifluoromethyl)-phenyl)ureaMol. Formula:
C20H20F4N2O2M.W.:
396.38Type:
Small moleculeAlogP:
5.36Polar Surface Area:
50.36HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA3100012
Name:
trans-1-(4-(2-Fluorophenoxy)cyclohexyl)-3-(3-(trifluoromethyl)-phenyl)ureaMol. Formula:
C20H20F4N2O2M.W.:
396.38Type:
Small moleculeAlogP:
5.36Polar Surface Area:
50.36HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA3100011
Name:
trans-4-(3-(4-(4-fluorophenoxy)cyclohexyl)ureido)benzoic acidMol. Formula:
C20H21FN2O4M.W.:
372.40Type:
Small moleculeAlogP:
4.04Polar Surface Area:
87.66HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA3100008
Name:
trans-methyl 4-(3-(4-(4-fluorophenoxy)cyclohexyl)ureido)benzoateMol. Formula:
C21H23FN2O4M.W.:
386.42Type:
Small moleculeAlogP:
4.12Polar Surface Area:
76.66HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA3100007
Name:
trans-methyl 3-(3-(4-(4-fluorophenoxy)cyclohexyl)ureido)benzoateMol. Formula:
C21H23FN2O4M.W.:
386.42Type:
Small moleculeAlogP:
4.12Polar Surface Area:
76.66HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA3100006
Name:
cis-Methyl 2-(3-(4-(4-fluorophenoxy)cyclohexyl)ureido)benzoateMol. Formula:
C21H23FN2O4M.W.:
386.42Type:
Small moleculeAlogP:
4.12Polar Surface Area:
76.66HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA3100004
Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-(3-(methylthio)phenyl)ureaMol. Formula:
C20H23FN2O2SM.W.:
374.48Type:
Small moleculeAlogP:
5.06Polar Surface Area:
50.36HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3100002
Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-(4-nitrophenyl)ureaMol. Formula:
C19H20FN3O4M.W.:
373.38Type:
Small moleculeAlogP:
4.25Polar Surface Area:
93.50HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA3100001
Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-(3-nitrophenyl)ureaMol. Formula:
C19H20FN3O4M.W.:
373.38Type:
Small moleculeAlogP:
4.25Polar Surface Area:
93.50HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA3099998
Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-(3-methoxyphenyl)ureaMol. Formula:
C20H23FN2O3M.W.:
358.41Type:
Small moleculeAlogP:
4.35Polar Surface Area:
59.59HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA3099995
Name:
trans-1-(4-(4-fluorophenoxy)cyclohexyl)-3-m-tolylureaMol. Formula:
C20H23FN2O2M.W.:
342.41Type:
Small moleculeAlogP:
4.65Polar Surface Area:
50.36HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS
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