Type:
Small moleculeAlogP:
1.96Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.71DETAILS
METHYL 3-CHLORO-4-METHOXYBENZOATEName:
methyl 3-chloro-4-methoxybenzoateMol. Formula:
C9H9ClO3M.W.:
200.62Type:
Small moleculeAlogP:
2.14Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
1.49Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
Small moleculeAlogP:
1.49Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS
METHYL 2,4,6-TRIMETHOXYBENZOATEName:
methyl 2,4,6-trimethoxybenzoateMol. Formula:
C11H14O5M.W.:
226.23Type:
Small moleculeAlogP:
1.50Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS-
Type:
Small moleculeAlogP:
1.49Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - Methyl 4-hydroxy-2-methoxybenzoate
Name:
methyl 4-hydroxy-2-methoxybenzoateMol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - Methyl 2-hydroxy-6-methoxybenzoate
Name:
methyl 2-hydroxy-6-methoxybenzoateMol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - Methyl 5-Methoxysalicylate
Name:
methyl 2-hydroxy-5-methoxybenzoateMol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - Methyl 3-methoxysalicylate
Name:
methyl 2-hydroxy-3-methoxybenzoateMol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
2.42Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
Small moleculeAlogP:
2.27Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
3.00Polar Surface Area:
26.30HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.74DETAILS - 3,5-Dinitrobenzoic acid methyl ester
Name:
methyl 3,5-dinitrobenzoateMol. Formula:
C8H6N2O6M.W.:
226.14Type:
Small moleculeAlogP:
1.29Polar Surface Area:
112.58HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
1.48Polar Surface Area:
35.53HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.62DETAILS - Methyl 3-hydroxy-4-methoxybenzoate
Name:
methyl 3-hydroxy-4-methoxybenzoateMol. Formula:
C9H10O4M.W.:
182.18Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
1.19Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
1.50Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
1.49Polar Surface Area:
44.76HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS
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