Type:
---AlogP:
2.52Polar Surface Area:
139.98HBA:
6HBD:
7#RO5 Violations:
2#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.10DETAILS
Type:
UnknownAlogP:
2.35Polar Surface Area:
87.66HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
UnknownAlogP:
2.51Polar Surface Area:
70.59HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA5076671Name:
ethyl 6-methyl-2-oxo-4-o-tolyl-1,2,3,4-tetrahydropyrimidine-5-carboxylateMol. Formula:
C15H18N2O3M.W.:
274.32Type:
UnknownAlogP:
2.19Polar Surface Area:
67.43HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
Small moleculeAlogP:
1.84Polar Surface Area:
142.75HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS-
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
116.45HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA4174033
Name:
(R)-5-(4-hydroxybenzyl)-4-(4-hydroxyphenyl)-3-methoxyfuran-2(5H)-oneMol. Formula:
C18H16O5M.W.:
312.32Type:
Small moleculeAlogP:
2.62Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
Small moleculeAlogP:
2.54Polar Surface Area:
111.52HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.97Polar Surface Area:
94.23HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
Small moleculeAlogP:
1.14Polar Surface Area:
69.92HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
1.84Polar Surface Area:
142.75HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
Small moleculeAlogP:
3.45Polar Surface Area:
92.70HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
2.67Polar Surface Area:
107.22HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
2.17Polar Surface Area:
102.29HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
3.55Polar Surface Area:
85.00HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS -
Type:
Small moleculeAlogP:
2.67Polar Surface Area:
107.22HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA4159947
Name:
(R)-3-hydroxy-5-(4-hydroxybenzyl)-4-(4-hydroxyphenyl)-furan-2(5H)-oneMol. Formula:
C17H14O5M.W.:
298.29Type:
Small moleculeAlogP:
2.54Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
6.23Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.20DETAILS -
Type:
Small moleculeAlogP:
6.01Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
6.01Polar Surface Area:
69.56HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
19Passes Ro3:
NQED Weighted:
0.18DETAILS
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