ALA5266781Name:
(1R,2S,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acidMol. Formula:
C9H10O4M.W.:
182.17Type:
---AlogP:
0.59Polar Surface Area:
74.60HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA5265824Name:
(S)-7-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-5-methoxychroman-4-oneMol. Formula:
C17H16O6M.W.:
316.31Type:
---AlogP:
2.82Polar Surface Area:
85.22HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS
Type:
---AlogP:
-0.53Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.53DETAILS
ALA3774568Name:
DL-trans-2N-{2-[2-(2,4,6-Trimethylphenoxy)ethoxy]ethyl}aminocyclohexan-1-olMol. Formula:
C19H31NO3M.W.:
321.46Type:
Small moleculeAlogP:
2.90Polar Surface Area:
50.72HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.72DETAILS
ALA3775404Name:
trans-4N-{2-[2-(2,3-Dimethylphenoxy)ethoxy]ethyl}aminocyclohexan-1-olMol. Formula:
C18H29NO3M.W.:
307.43Type:
Small moleculeAlogP:
2.59Polar Surface Area:
50.72HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.72DETAILS- ALA3774397
Name:
R-(-)-2N-[(2,4-Dimethylphenoxy)ethyl]aminopropan-1-olMol. Formula:
C13H21NO2M.W.:
223.32Type:
Small moleculeAlogP:
1.65Polar Surface Area:
41.49HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3609492
Name:
(S)-4,5-dihydroxy-1-(naphthalen-2-yl)pentane-2,3-dioneMol. Formula:
C15H14O4M.W.:
258.27Type:
Small moleculeAlogP:
0.87Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
7.12Polar Surface Area:
79.15HBA:
5HBD:
3#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
3.21Polar Surface Area:
59.06HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.93DETAILS - ALA1254014
Name:
4-bromo-5-(bromomethylene)-3-dodecylfuran-2(5H)-oneMol. Formula:
C17H26Br2O2M.W.:
422.20Type:
Small moleculeAlogP:
6.74Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.27DETAILS - ALA446873
Name:
3-hydroxy-N-((S)-2-oxotetrahydrofuran-3-yl)butanamideMol. Formula:
C8H13NO4M.W.:
187.19Type:
Small moleculeAlogP:
-0.81Polar Surface Area:
75.63HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
4.32Polar Surface Area:
38.83HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA257210
Name:
(-)3,4-dimethyl-2,5-diphenyl-1,3,2-oxazaborolidineMol. Formula:
C16H18BNOM.W.:
251.14Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA256023
Name:
(4R,5R)-4-methyl-2,5-diphenyl-1,3,2-oxazaborolidineMol. Formula:
C15H16BNOM.W.:
237.11Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA255811
Name:
2-butyl-3,4-dimethyl-5-phenyl-1,3,2-oxazaborolidineMol. Formula:
C14H22BNOM.W.:
231.15Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
-0.11Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.45DETAILS - Diethyl 3，4-dihydroxyfuran-2，5-dicarboxylate
Name:
diethyl 3,4-dihydroxyfuran-2,5-dicarboxylateMol. Formula:
C10H12O7M.W.:
244.20Type:
Small moleculeAlogP:
1.04Polar Surface Area:
106.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
-0.36Polar Surface Area:
86.74HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
Small moleculeAlogP:
-0.36Polar Surface Area:
86.74HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.46DETAILS
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