Type:
---AlogP:
0.73Polar Surface Area:
175.37HBA:
11HBD:
6#RO5 Violations:
3#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
---AlogP:
0.05Polar Surface Area:
195.60HBA:
12HBD:
7#RO5 Violations:
3#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.17DETAILS
ALA5205874Name:
1-vinyl-9H-pyrido[3,4-b]indole-3-carboxylic acidMol. Formula:
C14H10N2O2M.W.:
238.25Type:
---AlogP:
3.06Polar Surface Area:
65.98HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS
Type:
---AlogP:
1.53Polar Surface Area:
46.38HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.51DETAILS
ALA5183790Name:
N-ethyl-1-hydroxybenzo[d][1,2,3]diazaborinine-2(1H)-carbothioamideMol. Formula:
C10H12BN3OSM.W.:
233.10Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
UnknownAlogP:
5.66Polar Surface Area:
101.26HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
5.09Polar Surface Area:
101.26HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
UnknownAlogP:
4.93Polar Surface Area:
101.26HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
UnknownAlogP:
5.32Polar Surface Area:
101.26HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS -
Type:
UnknownAlogP:
5.24Polar Surface Area:
101.26HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
UnknownAlogP:
5.38Polar Surface Area:
101.26HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA4438175
Name:
N-butyl-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxamideMol. Formula:
C14H15N3O4M.W.:
289.29Type:
UnknownAlogP:
1.97Polar Surface Area:
105.10HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
0.40Polar Surface Area:
275.68HBA:
13HBD:
8#RO5 Violations:
3#Rotatable Bonds:
25Passes Ro3:
NQED Weighted:
0.03DETAILS -
Type:
Small moleculeAlogP:
4.96Polar Surface Area:
63.22HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
2.73Polar Surface Area:
197.12HBA:
12HBD:
5#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
2.40Polar Surface Area:
80.92HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
5.71Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
4.83Polar Surface Area:
74.22HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4102257
Name:
(2R,3S)-Cyclohexyl 3-(N-cinnamoyl)amino-3-phenyl-2-benzoyloxypropan-amideMol. Formula:
C31H32N2O4M.W.:
496.61Type:
Small moleculeAlogP:
5.23Polar Surface Area:
84.50HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
4.11Polar Surface Area:
93.06HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS
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