Type:
---AlogP:
1.87Polar Surface Area:
66.64HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.33DETAILS
Type:
---AlogP:
3.81Polar Surface Area:
71.95HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA5181210Name:
3-amino-5-(5-bromo-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-oneMol. Formula:
C11H6BrN3O2S2M.W.:
356.23Type:
---AlogP:
1.85Polar Surface Area:
75.43HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.32DETAILS
ALA4567017Name:
N,N-Diisopropyl-N'-(10-nitropyrido[3,4-g]quinazolin-2-yl)methanediamineMol. Formula:
C18H22N6O2M.W.:
354.41Type:
UnknownAlogP:
3.57Polar Surface Area:
97.08HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.31DETAILS
ALA4558273Name:
N,N-Dimethyl-N'-(10-nitropyrido[3,4-g]quinazolin-2-yl)methanediamineMol. Formula:
C14H14N6O2M.W.:
298.31Type:
UnknownAlogP:
2.02Polar Surface Area:
97.08HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS- ALA4533476
Name:
N,N-Dimethyl-N'-(10-nitropyrido[3,4-g]quinazolin-2-yl)formimidamideMol. Formula:
C14H12N6O2M.W.:
296.29Type:
UnknownAlogP:
2.31Polar Surface Area:
97.41HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.24DETAILS - ALA4460807
Name:
N,N-Diisopropyl-N'-(10-nitropyrido[3,4-g]quinazolin-2-yl)formimidamideMol. Formula:
C18H20N6O2M.W.:
352.40Type:
UnknownAlogP:
3.86Polar Surface Area:
97.41HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.23DETAILS - ALA4081787
Name:
6,7-dimethoxy-N-(5-(4-methoxyphenyl)-1H-pyrazol-3-yl)quinazolin-4-amineMol. Formula:
C20H19N5O3M.W.:
377.40Type:
Small moleculeAlogP:
3.79Polar Surface Area:
94.18HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4065204
Name:
N-(1,5-diphenyl-1H-pyrazol-3-yl)-6,7-dimethoxyquinazolin-4-amineMol. Formula:
C25H21N5O2M.W.:
423.48Type:
Small moleculeAlogP:
5.24Polar Surface Area:
74.09HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS - TG 003
Name:
(Z)-1-(3-ethyl-5-methoxy-2, 3-dihydrobenzothiazol-2-ylidene) propan-2-oneMol. Formula:
C13H15NO2SM.W.:
249.34Type:
Small moleculeAlogP:
3.06Polar Surface Area:
29.54HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.77DETAILS
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