Type:
Small moleculeAlogP:
5.32Polar Surface Area:
72.80HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA2252516Name:
Methyl 1-(2-hydroxyphenyl)-beta-carboline-3-carboxylateMol. Formula:
C19H14N2O3M.W.:
318.33Type:
Small moleculeAlogP:
3.88Polar Surface Area:
75.21HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.55DETAILS
ALA2252515Name:
Methyl 1-(4-chlorophenyl)-beta-carboline-3-carboxylateMol. Formula:
C19H13ClN2O2M.W.:
336.78Type:
Small moleculeAlogP:
4.82Polar Surface Area:
54.98HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA2252514Name:
Methyl 1-(trichloromethyl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylateMol. Formula:
C14H13Cl3N2O2M.W.:
347.63Type:
Small moleculeAlogP:
3.27Polar Surface Area:
54.12HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
Small moleculeAlogP:
2.66Polar Surface Area:
83.58HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS-
Type:
Small moleculeAlogP:
2.57Polar Surface Area:
94.58HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA2252511
Name:
1-(Trichloromethyl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acidMol. Formula:
C13H11Cl3N2O2M.W.:
333.60Type:
Small moleculeAlogP:
3.18Polar Surface Area:
65.12HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2230101
Name:
3-(3-(4-(trifluoromethyl)phenoxy)propoxy)phenyl methylcarbamateMol. Formula:
C18H18F3NO4M.W.:
369.34Type:
Small moleculeAlogP:
4.27Polar Surface Area:
56.79HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA2230099
Name:
3-(4-(4-(trifluoromethyl)phenoxy)butoxy)phenyl methylcarbamateMol. Formula:
C19H20F3NO4M.W.:
383.37Type:
Small moleculeAlogP:
4.66Polar Surface Area:
56.79HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA2230097
Name:
3-(3-(4-nitrophenoxy)propoxy)phenyl methylcarbamateMol. Formula:
C17H18N2O6M.W.:
346.34Type:
Small moleculeAlogP:
3.16Polar Surface Area:
99.93HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA2230095
Name:
3-(4-(4-nitrophenoxy)butoxy)phenyl methylcarbamateMol. Formula:
C18H20N2O6M.W.:
360.37Type:
Small moleculeAlogP:
3.55Polar Surface Area:
99.93HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA2230094
Name:
3-(4-(2-nitrophenoxy)butoxy)phenyl methylcarbamateMol. Formula:
C18H20N2O6M.W.:
360.37Type:
Small moleculeAlogP:
3.55Polar Surface Area:
99.93HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA2230093
Name:
3-(4-(3-nitrophenoxy)butoxy)phenyl methylcarbamateMol. Formula:
C18H20N2O6M.W.:
360.37Type:
Small moleculeAlogP:
3.55Polar Surface Area:
99.93HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA2228863
Name:
5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-enyl propionateMol. Formula:
C13H22O3M.W.:
226.32Type:
Small moleculeAlogP:
2.44Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.59DETAILS
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