Type:
Small moleculeAlogP:
3.56Polar Surface Area:
75.63HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
Small moleculeAlogP:
3.00Polar Surface Area:
102.82HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.38DETAILS
Type:
Small moleculeAlogP:
3.56Polar Surface Area:
102.82HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.37DETAILS
Type:
Small moleculeAlogP:
4.03Polar Surface Area:
102.82HBA:
5HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.35DETAILS
ALA1094005Name:
2-(4-methyl-3-nitrophenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C16H11N3O4M.W.:
309.28Type:
Small moleculeAlogP:
2.64Polar Surface Area:
94.69HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.38DETAILS- ALA1094004
Name:
2-(3-methoxyphenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C16H12N2O3M.W.:
280.28Type:
Small moleculeAlogP:
2.43Polar Surface Area:
60.78HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA1090983
Name:
2-(3,4-dimethoxyphenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C17H14N2O4M.W.:
310.31Type:
Small moleculeAlogP:
2.44Polar Surface Area:
70.01HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA1091426
Name:
2-(3-bromo-4-methoxyphenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C16H11BrN2O3M.W.:
359.18Type:
Small moleculeAlogP:
3.20Polar Surface Area:
60.78HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA1091042
Name:
2-(2-bromo-4-methoxyphenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C16H11BrN2O3M.W.:
359.18Type:
Small moleculeAlogP:
3.20Polar Surface Area:
60.78HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA1091041
Name:
2-(3-bromophenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C15H9BrN2O2M.W.:
329.15Type:
Small moleculeAlogP:
3.19Polar Surface Area:
51.55HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA1092140
Name:
2-(2,4-dichlorophenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C15H8Cl2N2O2M.W.:
319.15Type:
Small moleculeAlogP:
3.73Polar Surface Area:
51.55HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA1092139
Name:
2-(4-nitrophenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C15H9N3O4M.W.:
295.25Type:
Small moleculeAlogP:
2.33Polar Surface Area:
94.69HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA1091767
Name:
4-(pyridin-3-ylmethylene)-2-(3,4,5-trimethoxyphenyl)oxazol-5(4H)-oneMol. Formula:
C18H16N2O5M.W.:
340.34Type:
Small moleculeAlogP:
2.45Polar Surface Area:
79.24HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA1091766
Name:
2-(4-bromo-3-methylphenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C16H11BrN2O2M.W.:
343.18Type:
Small moleculeAlogP:
3.50Polar Surface Area:
51.55HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA1091765
Name:
2-(3-chlorophenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C15H9ClN2O2M.W.:
284.70Type:
Small moleculeAlogP:
3.08Polar Surface Area:
51.55HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA1091764
Name:
2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C15H8F2N2O2M.W.:
286.24Type:
Small moleculeAlogP:
2.70Polar Surface Area:
51.55HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA1091787
Name:
2-(4-chlorophenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C15H9ClN2O2M.W.:
284.70Type:
Small moleculeAlogP:
3.08Polar Surface Area:
51.55HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA1091786
Name:
4-(pyridin-3-ylmethylene)-2-m-tolyloxazol-5(4H)-oneMol. Formula:
C16H12N2O2M.W.:
264.28Type:
Small moleculeAlogP:
2.73Polar Surface Area:
51.55HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA1091785
Name:
2-(4-chloro-3-nitrophenyl)-4-(pyridin-3-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C15H8ClN3O4M.W.:
329.70Type:
Small moleculeAlogP:
2.99Polar Surface Area:
94.69HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA1091784
Name:
2-(2-chloro-5-iodophenyl)-4-(pyridin-4-ylmethylene)oxazol-5(4H)-oneMol. Formula:
C15H8ClIN2O2M.W.:
410.60Type:
Small moleculeAlogP:
3.68Polar Surface Area:
51.55HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.43DETAILS
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