Type:
Small moleculeAlogP:
3.42Polar Surface Area:
32.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA4170600Name:
3-(5H-dipyrido[2,3-b:4',3'-e][1,4]thiazin-5-yl)-N,N-dimethylpropan-1-amineMol. Formula:
C15H18N4SM.W.:
286.40Type:
Small moleculeAlogP:
3.03Polar Surface Area:
32.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS
ALA4164693Name:
2-(10H-dipyrido[2,3-b:2',3'-e][1,4]thiazin-10-yl)-N,N-diethylethanamineMol. Formula:
C16H20N4SM.W.:
300.43Type:
Small moleculeAlogP:
3.42Polar Surface Area:
32.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS
ALA4163292Name:
10-(4-(piperidin-1-yl)but-2-ynyl)-10H-dipyrido[3,4-b:3',4'-e][1,4]thiazineMol. Formula:
C19H20N4SM.W.:
336.46Type:
Small moleculeAlogP:
3.57Polar Surface Area:
32.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
Small moleculeAlogP:
3.03Polar Surface Area:
32.26HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS- ALA4103941
Name:
6,7-di(4-cinnamoyloxy-2-butynyloxy)-5,8-quinolinedioneMol. Formula:
C35H25NO8M.W.:
587.58Type:
Small moleculeAlogP:
4.23Polar Surface Area:
118.09HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA4100681
Name:
6-chloro-7-(3-phenyl-2-propynyloxy)-5,8-quinolinedioneMol. Formula:
C18H10ClNO3M.W.:
323.74Type:
Small moleculeAlogP:
2.98Polar Surface Area:
56.26HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4093780
Name:
6,7-di(3-phenyl-2-propynyloxy)-5,8-quinolinedioneMol. Formula:
C27H17NO4M.W.:
419.44Type:
Small moleculeAlogP:
3.81Polar Surface Area:
65.49HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4092957
Name:
6-chloro-7-(1-methyl-2-propynyloxy)-5,8-quinolinedioneMol. Formula:
C13H8ClNO3M.W.:
261.66Type:
Small moleculeAlogP:
1.95Polar Surface Area:
56.26HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA4090511
Name:
(E)-6-chloro-7-(4-cinnamoyloxy-2-butynyloxy)-5,8-quinolinedioneMol. Formula:
C22H14ClNO5M.W.:
407.81Type:
Small moleculeAlogP:
3.19Polar Surface Area:
82.56HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
1.75Polar Surface Area:
65.49HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.59DETAILS - ALA4082690
Name:
6-chloro-7-(3-ethynylphenyloxy)-5,8-quinolinedioneMol. Formula:
C17H8ClNO3M.W.:
309.71Type:
Small moleculeAlogP:
2.97Polar Surface Area:
56.26HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4080328
Name:
6,7-di(1-methyl-2-propynyloxy)-5,8-quinolinedioneMol. Formula:
C17H13NO4M.W.:
295.29Type:
Small moleculeAlogP:
1.75Polar Surface Area:
65.49HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4076551
Name:
6,7-di(4-benzoiloxy-2-butynyloxy)-5,8-quinolinedioneMol. Formula:
C31H21NO8M.W.:
535.51Type:
Small moleculeAlogP:
3.43Polar Surface Area:
118.09HBA:
9HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
1.95Polar Surface Area:
56.26HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
0.97Polar Surface Area:
65.49HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA4075555
Name:
6-chloro-7-(4-benzoyloxy-2-butynyloxy)-5,8-quinolinedioneMol. Formula:
C20H12ClNO5M.W.:
381.77Type:
Small moleculeAlogP:
2.79Polar Surface Area:
82.56HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4074815
Name:
6,7-di(4-chloro-2-butynyloxy)-5,8-quinolinedioneMol. Formula:
C17H11Cl2NO4M.W.:
364.18Type:
Small moleculeAlogP:
2.19Polar Surface Area:
65.49HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4072196
Name:
6-chloro-7-(4-chloro-2-butynyloxy)-5,8-quinolinedioneMol. Formula:
C13H7Cl2NO3M.W.:
296.11Type:
Small moleculeAlogP:
2.17Polar Surface Area:
56.26HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
3.79Polar Surface Area:
65.49HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS
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