Type:
Small moleculeAlogP:
1.65Polar Surface Area:
90.98HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.63DETAILS
Type:
Small moleculeAlogP:
1.52Polar Surface Area:
100.21HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.58DETAILS
Type:
Small moleculeAlogP:
2.53Polar Surface Area:
90.98HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.57DETAILS
Type:
Small moleculeAlogP:
5.18Polar Surface Area:
69.03HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
4.87Polar Surface Area:
154.11HBA:
8HBD:
4#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.16DETAILS-
Type:
Small moleculeAlogP:
5.30Polar Surface Area:
127.31HBA:
7HBD:
2#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.30DETAILS -
Type:
Small moleculeAlogP:
6.69Polar Surface Area:
151.29HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
6.05Polar Surface Area:
151.29HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.13DETAILS -
Type:
Small moleculeAlogP:
2.91Polar Surface Area:
151.29HBA:
7HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
6.61Polar Surface Area:
93.09HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.14DETAILS -
Type:
Small moleculeAlogP:
2.97Polar Surface Area:
121.07HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
Small moleculeAlogP:
5.96Polar Surface Area:
69.03HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS - ALA2260916
Name:
2,3,4-Triphenyl-pyrazolo[4,3-d][1,2]oxazin-7(2H)-oneMol. Formula:
C23H15N3O2M.W.:
365.39Type:
Small moleculeAlogP:
4.71Polar Surface Area:
60.92HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA2260915
Name:
2,3,4-Triphenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl-amineMol. Formula:
C23H17N5M.W.:
363.42Type:
Small moleculeAlogP:
4.73Polar Surface Area:
69.62HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA2260914
Name:
4-Benzoyl-1,5-diphenyl-1H-pyrazole-3-carbonitrileMol. Formula:
C23H15N3OM.W.:
349.39Type:
Small moleculeAlogP:
4.64Polar Surface Area:
58.68HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
6.00Polar Surface Area:
51.96HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA2260912
Name:
1-(4-benzoyl-1,5-diphenyl-1H-pyrazol-3-oyl)-sulfamideMol. Formula:
C23H18N4O4SM.W.:
446.49Type:
Small moleculeAlogP:
2.70Polar Surface Area:
124.15HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
1.11Polar Surface Area:
78.90HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA2230199
Name:
(E)-2-(3-methoxy-5-oxofuran-2(5H)-ylidene)-3-methyl-4-oxopentyl acetateMol. Formula:
C13H16O6M.W.:
268.26Type:
Small moleculeAlogP:
1.12Polar Surface Area:
78.90HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
0.91Polar Surface Area:
125.32HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS
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