ALA5272174Name:
5-((3-chlorophenethyl)amino)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C20H15ClN4O2M.W.:
378.82Type:
---AlogP:
4.18Polar Surface Area:
88.00HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA5279015Name:
5-(phenethylamino)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C20H16N4O2M.W.:
344.37Type:
---AlogP:
3.53Polar Surface Area:
88.00HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA5277426Name:
5-((4-chlorophenyl)amino)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C18H11ClN4O2M.W.:
350.77Type:
---AlogP:
4.27Polar Surface Area:
88.00HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA5273686Name:
5-(phenylamino)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C18H12N4O2M.W.:
316.32Type:
---AlogP:
3.62Polar Surface Area:
88.00HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA5273101Name:
5-((3-methoxyphenethyl)amino)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C21H18N4O3M.W.:
374.40Type:
---AlogP:
3.54Polar Surface Area:
97.23HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.50DETAILS- ALA5284276
Name:
5-((3-fluorophenethyl)amino)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C20H15FN4O2M.W.:
362.36Type:
---AlogP:
3.67Polar Surface Area:
88.00HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
---AlogP:
3.58Polar Surface Area:
107.14HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA5289971
Name:
5-((3-methoxyphenethyl)amino)benzo[c][2,6]naphthyridine-8-carboxylic acidMol. Formula:
C22H19N3O3M.W.:
373.41Type:
---AlogP:
4.14Polar Surface Area:
84.34HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA5288779
Name:
5-(benzylamino)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C19H14N4O2M.W.:
330.35Type:
---AlogP:
3.49Polar Surface Area:
88.00HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA5288569
Name:
5-((2-chlorophenyl)amino)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C18H11ClN4O2M.W.:
350.77Type:
---AlogP:
4.27Polar Surface Area:
88.00HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA5288335
Name:
5-(naphthalen-2-ylamino)pyrimido[4,5-c]quinoline-8-carboxylic acidMol. Formula:
C22H14N4O2M.W.:
366.38Type:
---AlogP:
4.77Polar Surface Area:
88.00HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5287614
Name:
5-(naphthalen-2-ylamino)benzo[c][2,6]naphthyridine-8-carboxylic acidMol. Formula:
C23H15N3O2M.W.:
365.39Type:
---AlogP:
5.38Polar Surface Area:
75.11HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA5267348
Name:
5-(benzylamino)benzo[f]1,7-naphthyridine-8-carboxylic acidMol. Formula:
C20H15N3O2M.W.:
329.36Type:
---AlogP:
4.09Polar Surface Area:
75.11HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
---AlogP:
3.76Polar Surface Area:
39.58HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
---AlogP:
3.58Polar Surface Area:
15.79HBA:
---HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA5201730
Name:
2-(5-bromo-6-chloro-1H-indazol-3-yl)acetonitrileMol. Formula:
C9H5BrClN3M.W.:
270.52Type:
---AlogP:
3.04Polar Surface Area:
52.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.87DETAILS -
Type:
---AlogP:
3.15Polar Surface Area:
52.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
---AlogP:
3.00Polar Surface Area:
39.58HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.81DETAILS -
Type:
---AlogP:
2.39Polar Surface Area:
52.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.83DETAILS
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