ALA2314123Name:
[11C-carbonyl]-3-(4,5-Dihydrooxazol-2-yl)phenyl HexylcarbamateMol. Formula:
C16H22N2O4M.W.:
305.36Type:
Small moleculeAlogP:
2.84Polar Surface Area:
80.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.76DETAILS
ALA2314122Name:
[11C-carbonyl]-3-(4,5-Dihydrooxazol-2-yl)phenyl CyclopentylcarbamateMol. Formula:
C15H18N2O4M.W.:
289.32Type:
Small moleculeAlogP:
2.20Polar Surface Area:
80.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS
ALA2314121Name:
[11C-carbonyl]-3-(4,5-Dihydrooxazol-2-yl)phenyl CyclohexylcarbamateMol. Formula:
C16H20N2O4M.W.:
303.35Type:
Small moleculeAlogP:
2.59Polar Surface Area:
80.15HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS
ALA2314120Name:
[11C-carbonyl]-6-Hydroxy-[1,1'-biphenyl]-3-yl HexylcarbamateMol. Formula:
C19H23NO3M.W.:
312.40Type:
Small moleculeAlogP:
4.73Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA2314119Name:
[11C-carbonyl]-6-Hydroxy-[1,1'-biphenyl]-3-yl CyclobutylcarbamateMol. Formula:
C17H17NO3M.W.:
282.33Type:
Small moleculeAlogP:
3.70Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS- ALA2314118
Name:
[11C-carbonyl]-6-Hydroxy-[1,1'-biphenyl]-3-yl CyclopentylcarbamateMol. Formula:
C18H19NO3M.W.:
296.35Type:
Small moleculeAlogP:
4.09Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA2314117
Name:
[11C-carbonyl]-3'-Carbamoyl-[1,1'-biphenyl]-3-yl CyclohexylcarbamateMol. Formula:
C20H22N2O3M.W.:
337.41Type:
Small moleculeAlogP:
3.87Polar Surface Area:
81.42HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA2314116
Name:
[11C-carbonyl]-6-hydroxybiphenyl-3-yl cyclohexylcarbamateMol. Formula:
C19H21NO3M.W.:
310.38Type:
Small moleculeAlogP:
4.48Polar Surface Area:
58.56HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
Small moleculeAlogP:
3.92Polar Surface Area:
64.78HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA1091847
Name:
1-Propyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]guanidineMol. Formula:
C12H13F3N4OSM.W.:
318.32Type:
Small moleculeAlogP:
3.54Polar Surface Area:
70.03HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA1091846
Name:
1-Ethyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]guanidineMol. Formula:
C11H11F3N4OSM.W.:
304.30Type:
Small moleculeAlogP:
3.15Polar Surface Area:
70.03HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA1091845
Name:
1-(4-Fluorophenyl)-3-[6-(trifluoromethoxy)benzothiazol-2-yl]thioureaMol. Formula:
C15H9F4N3OS2M.W.:
387.38Type:
Small moleculeAlogP:
5.14Polar Surface Area:
46.18HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA1091509
Name:
1-Phenyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]thioureaMol. Formula:
C15H10F3N3OS2M.W.:
369.39Type:
Small moleculeAlogP:
5.00Polar Surface Area:
46.18HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA1090093
Name:
1-Butyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]thioureaMol. Formula:
C13H14F3N3OS2M.W.:
349.40Type:
Small moleculeAlogP:
4.28Polar Surface Area:
46.18HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA1090092
Name:
1-Isopropyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]thioureaMol. Formula:
C12H12F3N3OS2M.W.:
335.38Type:
Small moleculeAlogP:
3.89Polar Surface Area:
46.18HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA1093767
Name:
1-Propyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]thioureaMol. Formula:
C12H12F3N3OS2M.W.:
335.38Type:
Small moleculeAlogP:
3.89Polar Surface Area:
46.18HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA1093766
Name:
1-Ethyl-3-[6-(trifluoromethoxy)benzothiazol-2-yl]thioureaMol. Formula:
C11H10F3N3OS2M.W.:
321.35Type:
Small moleculeAlogP:
3.50Polar Surface Area:
46.18HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA1093765
Name:
N,N-Dipropyl-N'-[6-(trifluoromethoxy)benzothiazol-2-yl]-acetamidineMol. Formula:
C16H20F3N3OSM.W.:
359.42Type:
Small moleculeAlogP:
5.37Polar Surface Area:
37.72HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA1092179
Name:
N,N-Diethyl-N'-[6-(trifluoromethoxy)benzothiazol-2-yl]-acetamidineMol. Formula:
C14H16F3N3OSM.W.:
331.36Type:
Small moleculeAlogP:
4.59Polar Surface Area:
37.72HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA1092178
Name:
N,N-Dimethyl-N'-[6-(trifluoromethoxy)benzothiazol-2-yl]-acetamidineMol. Formula:
C12H12F3N3OSM.W.:
303.31Type:
Small moleculeAlogP:
3.81Polar Surface Area:
37.72HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS
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