Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
1.28Polar Surface Area:
46.53HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.68DETAILS
ALA3350761Name:
N-[3-[3-(Fluorophenoxy)phenyl]-1-methyl-2-propenyl]-N-hydroxyureaMol. Formula:
C17H17FN2O3M.W.:
316.33Type:
Small moleculeAlogP:
3.79Polar Surface Area:
75.79HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS
ALA3350760Name:
2-hydroxy-3-methoxybenzaldehyde 2-pyridinylhydrazoneMol. Formula:
C13H13N3O2M.W.:
243.27Type:
Small moleculeAlogP:
2.24Polar Surface Area:
66.74HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - 3-tert-Butyloxy-1-propanol
Name:
Propylene glycol mono-t-butyl etherMol. Formula:
C7H16O2M.W.:
132.20Type:
Small moleculeAlogP:
1.18Polar Surface Area:
29.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
4.78Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
7.62Polar Surface Area:
37.30HBA:
1HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
-1.12Polar Surface Area:
51.43HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA2447936
Name:
N-[4-(3-oxo-3-phenyl-1-propen-1-yl)phenyl]-2,2-diphenylacetamideMol. Formula:
C29H23NO2M.W.:
417.51Type:
Small moleculeAlogP:
6.35Polar Surface Area:
46.17HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS - ALA2447934
Name:
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamideMol. Formula:
C22H17N3O4M.W.:
387.40Type:
Small moleculeAlogP:
5.22Polar Surface Area:
98.27HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA2447933
Name:
N-[2-(1,3-benzoxazol-2-yl)phenyl]-4-methylbenzenesulfonamideMol. Formula:
C20H16N2O3SM.W.:
364.43Type:
Small moleculeAlogP:
4.60Polar Surface Area:
72.20HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
1.00Polar Surface Area:
96.58HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
6.52Polar Surface Area:
95.58HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
2.34Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS
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