Type:
---AlogP:
1.74Polar Surface Area:
166.14HBA:
10HBD:
6#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
---AlogP:
7.33Polar Surface Area:
80.92HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
---AlogP:
4.34Polar Surface Area:
20.23HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.74DETAILS
Type:
---AlogP:
6.38Polar Surface Area:
80.92HBA:
4HBD:
4#RO5 Violations:
1#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.25DETAILS
Type:
---AlogP:
2.89Polar Surface Area:
107.22HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.35DETAILS-
Type:
---AlogP:
2.79Polar Surface Area:
63.13HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
2.72Polar Surface Area:
0.00HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
3.46Polar Surface Area:
75.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA3145387
Name:
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-olMol. Formula:
C10H12N4OM.W.:
204.23Type:
Small moleculeAlogP:
0.88Polar Surface Area:
63.57HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
4.27Polar Surface Area:
56.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
4.58Polar Surface Area:
56.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA2288729
Name:
2-amino-6-sec-butyl-4-oxo-4H-chromene-3-carboxamideMol. Formula:
C14H16N2O3M.W.:
260.29Type:
Small moleculeAlogP:
1.99Polar Surface Area:
99.32HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA2288727
Name:
2-amino-6-isopropyl-4-oxo-4H-chromene-3-carboxamideMol. Formula:
C13H14N2O3M.W.:
246.27Type:
Small moleculeAlogP:
1.60Polar Surface Area:
99.32HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA2288705
Name:
2-amino-6-tert-butyl-4-oxo-4H-chromene-3-carboxamideMol. Formula:
C14H16N2O3M.W.:
260.29Type:
Small moleculeAlogP:
1.77Polar Surface Area:
99.32HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA2288554
Name:
(E)-2-(methoxyimino)-N-methyl-2-(2-(2-nitrophenoxy)phenyl)acetamideMol. Formula:
C16H15N3O5M.W.:
329.31Type:
Small moleculeAlogP:
2.48Polar Surface Area:
103.06HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA2288553
Name:
(E)-2-(methoxyimino)-N-methyl-2-(2-(4-nitrophenoxy)phenyl)acetamideMol. Formula:
C16H15N3O5M.W.:
329.31Type:
Small moleculeAlogP:
2.48Polar Surface Area:
103.06HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA2288438
Name:
2-(4-isobutyl-3,5-dimethyl-1H-pyrazol-1-yl)-4,6-dimethylpyrimidineMol. Formula:
C15H22N4M.W.:
258.37Type:
Small moleculeAlogP:
3.09Polar Surface Area:
43.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA2288437
Name:
2-(3,5-dimethyl-4-propyl-1H-pyrazol-1-yl)-4,6-dimethylpyrimidineMol. Formula:
C14H20N4M.W.:
244.34Type:
Small moleculeAlogP:
2.85Polar Surface Area:
43.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA2288436
Name:
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-4,6-dimethylpyrimidineMol. Formula:
C13H18N4M.W.:
230.31Type:
Small moleculeAlogP:
2.46Polar Surface Area:
43.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA2288435
Name:
4-methyl-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)pyrimidineMol. Formula:
C11H14N4M.W.:
202.26Type:
Small moleculeAlogP:
1.90Polar Surface Area:
43.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS
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