ALA5205112Name:
Ammonium 2-hydroxy-5-{5-(N-(p-nitrobenzyl)aminomethyl]-2-furyl}benzoateMol. Formula:
C19H19N3O6M.W.:
385.38Type:
---AlogP:
3.55Polar Surface Area:
125.84HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.43DETAILS
Type:
---AlogP:
5.94Polar Surface Area:
128.87HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.11DETAILS
ALA5197026Name:
Ammonium 2-hydroxy-5-{5-[N-(p-nitrophenyl)aminomethyl]-2-furyl}benzoateMol. Formula:
C18H17N3O6M.W.:
371.35Type:
---AlogP:
3.87Polar Surface Area:
125.84HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.45DETAILS
ALA5192461Name:
Ammonium 2-hydroxy-5-{5-[N-(p-methoxybenzyl)aminomethyl]-2-furyl}benzoateMol. Formula:
C20H22N2O5M.W.:
370.41Type:
---AlogP:
3.65Polar Surface Area:
91.93HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS
ALA5190607Name:
Ammonium 2-hydroxy-5-[5-(propargylaminomethyl)-2-furyl]benzoateMol. Formula:
C15H16N2O4M.W.:
288.30Type:
---AlogP:
2.07Polar Surface Area:
82.70HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.57DETAILS- ALA5190412
Name:
Ammonium 2-hydroxy-5-{5-[N-(p-hydroxybenzyl)aminomethyl]-2-furyl}benzoateMol. Formula:
C19H20N2O5M.W.:
356.38Type:
---AlogP:
3.35Polar Surface Area:
102.93HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA5189842
Name:
Ammonium 5-[5-(benzylaminomethyl)-2-furyl]-2-hydroxybenzoateMol. Formula:
C19H20N2O4M.W.:
340.38Type:
---AlogP:
3.64Polar Surface Area:
82.70HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA5182027
Name:
Ammonium 5-{5-[N-(p-bromophenyl)aminomethyl]-2-furyl}-2-hydroxybenzoateMol. Formula:
C18H17BrN2O4M.W.:
405.25Type:
---AlogP:
4.73Polar Surface Area:
82.70HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
---AlogP:
3.04Polar Surface Area:
95.59HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
---AlogP:
6.22Polar Surface Area:
144.58HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
---AlogP:
5.15Polar Surface Area:
87.05HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA5174049
Name:
2-Hydroxy-5-[5-(piperidin-1-ylmethyl)-2-furyl]benzoic acidMol. Formula:
C17H19NO4M.W.:
301.34Type:
---AlogP:
3.34Polar Surface Area:
73.91HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
---AlogP:
4.65Polar Surface Area:
144.58HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
UnknownAlogP:
3.00Polar Surface Area:
129.40HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
3.30Polar Surface Area:
127.51HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA5093993
Name:
2-(3-(dimethylamino)-1,2,4-oxadiazol-5-yl)-6-((methylamino)methyl)phenolMol. Formula:
C12H16N4O2M.W.:
248.29Type:
UnknownAlogP:
1.23Polar Surface Area:
74.42HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
UnknownAlogP:
2.87Polar Surface Area:
78.01HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
2.10Polar Surface Area:
146.19HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
UnknownAlogP:
2.78Polar Surface Area:
129.40HBA:
9HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
UnknownAlogP:
3.11Polar Surface Area:
131.61HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.41DETAILS
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