Type:
---AlogP:
5.02Polar Surface Area:
200.23HBA:
8HBD:
6#RO5 Violations:
3#Rotatable Bonds:
29Passes Ro3:
NQED Weighted:
0.05DETAILS
Type:
---AlogP:
3.25Polar Surface Area:
52.58HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS
Type:
---AlogP:
4.54Polar Surface Area:
211.23HBA:
7HBD:
7#RO5 Violations:
2#Rotatable Bonds:
28Passes Ro3:
NQED Weighted:
0.06DETAILS
Type:
---AlogP:
4.79Polar Surface Area:
211.23HBA:
7HBD:
7#RO5 Violations:
2#Rotatable Bonds:
28Passes Ro3:
NQED Weighted:
0.06DETAILS
Type:
---AlogP:
2.86Polar Surface Area:
52.58HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.60DETAILS-
Type:
---AlogP:
4.40Polar Surface Area:
211.23HBA:
7HBD:
7#RO5 Violations:
2#Rotatable Bonds:
27Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
---AlogP:
2.68Polar Surface Area:
90.90HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
---AlogP:
5.56Polar Surface Area:
125.19HBA:
9HBD:
3#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
---AlogP:
5.65Polar Surface Area:
114.57HBA:
6HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
---AlogP:
7.07Polar Surface Area:
97.50HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA5183960
Name:
2-cyclopropyl-5-(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)-1,3,4-oxadiazoleMol. Formula:
C22H16N4OM.W.:
352.40Type:
---AlogP:
5.31Polar Surface Area:
67.60HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
---AlogP:
5.63Polar Surface Area:
96.11HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
1.79Polar Surface Area:
145.91HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA3120854
Name:
[1',1'':1,4'-terphenyl]-2'-methoxyl-3',5'-diol 5'-O-beta-glucuronideMol. Formula:
C25H24O9M.W.:
468.46Type:
Small moleculeAlogP:
2.01Polar Surface Area:
145.91HBA:
8HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA3120853
Name:
[1',1'':1,4'-terphenyl]-2',3',5'-triol 2'-O-beta-glucuronideMol. Formula:
C24H22O9M.W.:
454.43Type:
Small moleculeAlogP:
1.70Polar Surface Area:
156.91HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA3120852
Name:
4,7-bisphenyl-5,6-benzo[d]thiazoldiol 5-O-beta-glucuronideMol. Formula:
C25H21NO8SM.W.:
495.51Type:
Small moleculeAlogP:
2.61Polar Surface Area:
149.57HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
1.91Polar Surface Area:
158.68HBA:
10HBD:
5#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
4.83Polar Surface Area:
68.86HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
4.49Polar Surface Area:
68.86HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
4.49Polar Surface Area:
68.86HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS
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