Type:
---AlogP:
-0.53Polar Surface Area:
54.37HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.53DETAILS
Type:
---AlogP:
0.59Polar Surface Area:
74.60HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS
Type:
---AlogP:
2.82Polar Surface Area:
85.22HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS
Type:
Small moleculeAlogP:
2.90Polar Surface Area:
50.72HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.72DETAILS
Type:
Small moleculeAlogP:
2.59Polar Surface Area:
50.72HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.72DETAILS-
Type:
Small moleculeAlogP:
1.65Polar Surface Area:
41.49HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
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 -
Type:
Small moleculeAlogP:
6.74Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
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 -
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 - ALA399324
Name:
(1S,2R)-cyclopentane-1,2-diolCas Number:
5057-98-7Mol. Formula:
C5H10O2M.W.:
102.13Type:
Small moleculeAlogP:
-0.11Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.45DETAILS - ALA253876
Name:
diethyl 3,4-dihydroxyfuran-2,5-dicarboxylateCas Number:
6270-57-1Mol. 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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