Type:
Small moleculeAlogP:
3.34Polar Surface Area:
100.55HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.57DETAILS- ALA1830237
Name:
(2-(p-Fluorophenylamino)thiazol-4-yl)(3,4,5-trimethoxyphenyl)-methanoneMol. Formula:
C19H17FN2O4SM.W.:
388.42Type:
Small moleculeAlogP:
4.28Polar Surface Area:
69.68HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS Type:
Small moleculeAlogP:
4.45Polar Surface Area:
69.68HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILSType:
Small moleculeAlogP:
4.13Polar Surface Area:
60.89HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.52DETAILSType:
Small moleculeAlogP:
3.79Polar Surface Area:
69.68HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.58DETAILSType:
Small moleculeAlogP:
3.53Polar Surface Area:
83.67HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS- ALA1830232
Name:
tert-Butyl 4-(4-(3,4,5-Trimethoxybenzoyl)thiazol-2-yl)benzylcarbamateMol. Formula:
C25H28N2O6SM.W.:
484.57Type:
Small moleculeAlogP:
5.09Polar Surface Area:
95.98HBA:
8HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA1830231
Name:
(2-(1H-Indol-5-yl)thiazol-4-yl)(3,4,5-trimethoxyphenyl)methanoneMol. Formula:
C21H18N2O4SM.W.:
394.45Type:
Small moleculeAlogP:
4.55Polar Surface Area:
73.44HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA1830230
Name:
(2-(1H-Indol-2-yl)thiazol-4-yl)(3,4,5-trimethoxyphenyl)methanoneMol. Formula:
C21H18N2O4SM.W.:
394.45Type:
Small moleculeAlogP:
4.55Polar Surface Area:
73.44HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS- ALA1830228
Name:
N-(3,4,5-Trimethoxyphenyl)biphenyl-3-sulfinamideMol. Formula:
C21H21NO4SM.W.:
383.47Type:
Small moleculeAlogP:
4.51Polar Surface Area:
62.78HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS Type:
Small moleculeAlogP:
4.55Polar Surface Area:
50.75HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS- ALA1830209
Name:
(4-Phenylpiperidin-1-yl)(3,4,5-trimethoxyphenyl)methanoneMol. Formula:
C21H25NO4M.W.:
355.43Type:
Small moleculeAlogP:
3.73Polar Surface Area:
48.00HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA1830208
Name:
(5-Phenylisoxazol-3-yl)(3,4,5-trimethoxyphenyl)methanoneMol. Formula:
C19H17NO5M.W.:
339.35Type:
Small moleculeAlogP:
3.60Polar Surface Area:
70.79HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA1830207
Name:
(2-Phenylthiazol-5-yl)(3,4,5-trimethoxyphenyl)methanoneMol. Formula:
C19H17NO4SM.W.:
355.42Type:
Small moleculeAlogP:
4.07Polar Surface Area:
57.65HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA1830206
Name:
(3-Phenyl-1H-pyrazol-5-yl)(3,4,5-trimethoxyphenyl)methanoneMol. Formula:
C19H18N2O4M.W.:
338.36Type:
Small moleculeAlogP:
3.33Polar Surface Area:
73.44HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA1830205
Name:
(5-Phenylthiophen-3-yl)(3,4,5-trimethoxyphenyl)methanoneMol. Formula:
C20H18O4SM.W.:
354.43Type:
Small moleculeAlogP:
4.67Polar Surface Area:
44.76HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA1830204
Name:
(5-Phenylfuran-2-yl)(3,4,5-trimethoxyphenyl)methanoneMol. Formula:
C20H18O5M.W.:
338.36Type:
Small moleculeAlogP:
4.20Polar Surface Area:
57.90HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA1830203
Name:
(6-Phenylpyridin-2-yl)(3,4,5-trimethoxyphenyl)methanoneMol. Formula:
C21H19NO4M.W.:
349.39Type:
Small moleculeAlogP:
4.01Polar Surface Area:
57.65HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA1830202
Name:
(6-Phenylpyrimidin-4-yl)(3,4,5-trimethoxyphenyl)methanoneMol. Formula:
C20H18N2O4M.W.:
350.37Type:
Small moleculeAlogP:
3.40Polar Surface Area:
70.54HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS