Type:
UnknownAlogP:
1.14Polar Surface Area:
207.05HBA:
12HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.37DETAILS
ALA4649752Name:
4-[5-(1H-indol-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzene-1,2-diolMol. Formula:
C17H13N3O3M.W.:
307.31Type:
UnknownAlogP:
3.22Polar Surface Area:
95.17HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
UnknownAlogP:
3.17Polar Surface Area:
123.42HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.40DETAILS
ALA4649615Name:
5-chloro-N-[(2-fluorophenyl)methyleneamino]-1H-indole-2-carboxamideMol. Formula:
C16H11ClFN3OM.W.:
315.74Type:
UnknownAlogP:
3.72Polar Surface Area:
57.25HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS
Type:
UnknownAlogP:
5.71Polar Surface Area:
66.76HBA:
6HBD:
---#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS-
Type:
UnknownAlogP:
0.62Polar Surface Area:
176.12HBA:
11HBD:
5#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
UnknownAlogP:
2.15Polar Surface Area:
75.18HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4649323
Name:
3-[(2,3-dihydroxyphenyl)methylene]chromane-2,4-diolMol. Formula:
C16H14O5M.W.:
286.28Type:
UnknownAlogP:
1.93Polar Surface Area:
90.15HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
UnknownAlogP:
3.00Polar Surface Area:
81.50HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
UnknownAlogP:
2.47Polar Surface Area:
125.32HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
1.70Polar Surface Area:
155.89HBA:
10HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
UnknownAlogP:
3.22Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
UnknownAlogP:
-1.41Polar Surface Area:
92.95HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA4649082
Name:
3-(3,4-dichlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-oneMol. Formula:
C15H10Cl2O3M.W.:
309.15Type:
UnknownAlogP:
4.30Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA4649019
Name:
2-[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]chroman-4-oneMol. Formula:
C23H15ClN2O3M.W.:
402.84Type:
UnknownAlogP:
5.76Polar Surface Area:
65.22HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
2.26Polar Surface Area:
87.51HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
2.47Polar Surface Area:
125.32HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
UnknownAlogP:
3.72Polar Surface Area:
57.25HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA4648629
Name:
2-(2-fluorophenyl)-5-(1H-indol-2-ylmethyl)-1,3,4-oxadiazoleMol. Formula:
C17H12FN3OM.W.:
293.30Type:
UnknownAlogP:
3.95Polar Surface Area:
54.71HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
UnknownAlogP:
6.77Polar Surface Area:
84.74HBA:
2HBD:
5#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.13DETAILS
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