Type:
Small moleculeAlogP:
3.04Polar Surface Area:
79.18HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS
ALA2170855Name:
a,b,c,d-tetrakis(1-methylpyridinium-4-yl)porphine p-toluenesulfonateMol. Formula:
C72H66N8O12S4M.W.:
1363.63Type:
Small moleculeAlogP:
6.62Polar Surface Area:
72.88HBA:
2HBD:
2#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.21DETAILS
ALA1910578Name:
2-(6-chloro-1H-indol-3-yl)-N-(4-morpholinophenyl)-2-oxoacetamideMol. Formula:
C20H18ClN3O3M.W.:
383.84Type:
Small moleculeAlogP:
3.48Polar Surface Area:
74.43HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS
ALA1910151Name:
N-(4-(1H-imidazol-1-yl)phenyl)-2-(1H-indol-3-yl)-2-oxoacetamideMol. Formula:
C19H14N4O2M.W.:
330.35Type:
Small moleculeAlogP:
3.17Polar Surface Area:
79.78HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS
ALA1910146Name:
2-(6-isopropyl-1H-indol-3-yl)-2-oxo-N-p-tolylacetamideMol. Formula:
C20H20N2O2M.W.:
320.39Type:
Small moleculeAlogP:
4.42Polar Surface Area:
61.96HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS-
Type:
Small moleculeAlogP:
8.31Polar Surface Area:
274.84HBA:
10HBD:
6#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.08DETAILS - ALA257199
Name:
2-amino-6-(4-chlorophenylthio)-4-(furan-2-yl)pyridine-3,5-dicarbonitrileMol. Formula:
C17H9ClN4OSM.W.:
352.81Type:
Small moleculeAlogP:
4.47Polar Surface Area:
99.63HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA256999
Name:
2-amino-6-(4-chlorophenylthio)-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrileMol. Formula:
C17H9ClN4S2M.W.:
368.87Type:
Small moleculeAlogP:
4.94Polar Surface Area:
86.49HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA244779
Name:
3-methyl-1-phenyl-4-(pyridine-2-yl)-1H-pyrazol-5(4H)-oneMol. Formula:
C15H13N3OM.W.:
251.29Type:
Small moleculeAlogP:
2.59Polar Surface Area:
45.56HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.82DETAILS - ALA387593
Name:
5-oxo-N,1-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxamideMol. Formula:
C16H13N3O2M.W.:
279.30Type:
Small moleculeAlogP:
2.42Polar Surface Area:
61.77HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA244778
Name:
N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl) benzamideMol. Formula:
C16H13N3O2M.W.:
279.30Type:
Small moleculeAlogP:
2.17Polar Surface Area:
61.77HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.92DETAILS - 1,3-diphenyl-4,5-dihydro-1H-pyrazol-5-one
Name:
1,3-diphenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C15H12N2OM.W.:
236.27Type:
Small moleculeAlogP:
2.83Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
1.93Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.61DETAILS - 1-(4-Chlorophenyl)-3-methyl-2-pyrazolin-5-one
Name:
1-(4-chlorophenyl)-3-methyl-1H-pyrazol-5(4H)-oneMol. Formula:
C10H9ClN2OM.W.:
208.65Type:
Small moleculeAlogP:
2.45Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.70DETAILS - ALA219768
Name:
1-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5(4H)-oneMol. Formula:
C11H12N2O2M.W.:
204.23Type:
Small moleculeAlogP:
1.81Polar Surface Area:
41.90HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.74DETAILS - ALA223190
Name:
4-isobutyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-oneMol. Formula:
C14H18N2OM.W.:
230.31Type:
Small moleculeAlogP:
3.07Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
Small moleculeAlogP:
3.02Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.82DETAILS -
Type:
Small moleculeAlogP:
2.36Polar Surface Area:
32.67HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.72DETAILS - ALA375548
Name:
1-cyclopentyl-3-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)ureaMol. Formula:
C15H18N4O2M.W.:
286.34Type:
Small moleculeAlogP:
1.98Polar Surface Area:
73.80HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA223594
Name:
methyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-ylcarbamateMol. Formula:
C11H11N3O3M.W.:
233.23Type:
Small moleculeAlogP:
1.09Polar Surface Area:
71.00HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS
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