ALA5189671Name:
1,2,3,4,5,6,6a,10b-octahydro-2,5-methanodicyclopenta[a,b]inden-2-amineMol. Formula:
C16H19NM.W.:
225.33Type:
---AlogP:
3.16Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.72DETAILS
Type:
---AlogP:
3.25Polar Surface Area:
26.02HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA5093773Name:
(R)-2-amino-3-(5-(4-chlorophenyl)furan-2-carboxamido)propanoic acidMol. Formula:
C14H13ClN2O4M.W.:
308.72Type:
UnknownAlogP:
1.74Polar Surface Area:
105.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS
ALA5091289Name:
(R)-2-amino-3-(5-(naphthalen-1-yl)furan-2-carboxamido)propanoic acidMol. Formula:
C18H16N2O4M.W.:
324.34Type:
UnknownAlogP:
2.24Polar Surface Area:
105.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
UnknownAlogP:
2.11Polar Surface Area:
105.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS-
Type:
UnknownAlogP:
2.11Polar Surface Area:
105.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
1.23Polar Surface Area:
114.79HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA5085583
Name:
(R)-2-amino-3-(5-o-tolylfuran-2-carboxamido)propanoic acidMol. Formula:
C15H16N2O4M.W.:
288.30Type:
UnknownAlogP:
1.40Polar Surface Area:
105.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA5083882
Name:
(R)-2-amino-3-(5-(3,4-dichlorophenyl)furan-2-carboxamido)propanoic acidMol. Formula:
C14H12Cl2N2O4M.W.:
343.17Type:
UnknownAlogP:
2.40Polar Surface Area:
105.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
0.34Polar Surface Area:
142.94HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA5081203
Name:
(R)-2-amino-3-(5-(2-chlorophenyl)furan-2-carboxamido)propanoic acidMol. Formula:
C14H13ClN2O4M.W.:
308.72Type:
UnknownAlogP:
1.74Polar Surface Area:
105.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA5081078
Name:
(R)-2-amino-3-(5-(2-bromophenyl)furan-2-carboxamido)propanoic acidMol. Formula:
C14H13BrN2O4M.W.:
353.17Type:
UnknownAlogP:
1.85Polar Surface Area:
105.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA5081008
Name:
(R)-2-amino-3-(5-(2-ethylphenyl)furan-2-carboxamido)propanoic acidMol. Formula:
C16H18N2O4M.W.:
302.33Type:
UnknownAlogP:
1.65Polar Surface Area:
105.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA5076681
Name:
(R)-2-amino-3-(5-(3-chlorophenyl)furan-2-carboxamido)propanoic acidMol. Formula:
C14H13ClN2O4M.W.:
308.72Type:
UnknownAlogP:
1.74Polar Surface Area:
105.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA5072895
Name:
(R)-2-amino-3-(5-phenylfuran-2-carboxamido)propanoic acidMol. Formula:
C14H14N2O4M.W.:
274.28Type:
UnknownAlogP:
1.09Polar Surface Area:
105.56HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.61Polar Surface Area:
255.06HBA:
9HBD:
9#RO5 Violations:
2#Rotatable Bonds:
26Passes Ro3:
NQED Weighted:
0.03DETAILS - ALA4215516
Name:
N-(3,5-Dimethyladamantan-1-yl)butane-1,4-diamine dihydrochlorideMol. Formula:
C16H32Cl2N2M.W.:
323.35Type:
Small moleculeAlogP:
3.06Polar Surface Area:
38.05HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4215205
Name:
N-(3,5-dimethyladamantyl)nonane-1,9-diamine trifluoroacetateMol. Formula:
C23H41F3N2O2M.W.:
434.59Type:
Small moleculeAlogP:
5.01Polar Surface Area:
38.05HBA:
2HBD:
2#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
2.61Polar Surface Area:
255.06HBA:
9HBD:
9#RO5 Violations:
2#Rotatable Bonds:
26Passes Ro3:
NQED Weighted:
0.03DETAILS - ALA4212351
Name:
N-{4-(3,5-Dimethyladamantan-1-ylamino)butyl}guanidine trifluoroacetateMol. Formula:
C19H33F3N4O2M.W.:
406.49Type:
Small moleculeAlogP:
2.38Polar Surface Area:
76.43HBA:
2HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS
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