Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
0.35Polar Surface Area:
139.59HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA3775750Name:
(2R,3R)-4-methylene-5-oxo-3-propyltetrahydrofuran-2-carboxylic acidMol. Formula:
C9H12O4M.W.:
184.19Type:
Small moleculeAlogP:
0.97Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
3.92Polar Surface Area:
99.13HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS
Butyrolactone 3Name:
(2S,3R)-4-methylene-5-oxo-2-propyltetrahydrofuran-3-carboxylic acidMol. Formula:
C9H12O4M.W.:
184.19Type:
Small moleculeAlogP:
0.97Polar Surface Area:
63.60HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS-
Type:
Small moleculeAlogP:
1.24Polar Surface Area:
72.42HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
0.93Polar Surface Area:
72.42HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
3.51Polar Surface Area:
59.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
2.12Polar Surface Area:
69.89HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
-0.09Polar Surface Area:
120.54HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
2.14Polar Surface Area:
58.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
3.21Polar Surface Area:
89.80HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
0.91Polar Surface Area:
47.94HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
3.06Polar Surface Area:
58.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
3.05Polar Surface Area:
81.06HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
6.35Polar Surface Area:
88.48HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.25DETAILS -
Type:
Small moleculeAlogP:
3.13Polar Surface Area:
70.56HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
2.73Polar Surface Area:
76.99HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
1.79Polar Surface Area:
67.48HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
3.82Polar Surface Area:
41.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS
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