Type:
Small moleculeAlogP:
2.36Polar Surface Area:
95.08HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.62DETAILS
ALA3092555Name:
N-benzhydryl-3-(7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)propanamideMol. Formula:
C24H20ClN3O2M.W.:
417.90Type:
Small moleculeAlogP:
4.41Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
Small moleculeAlogP:
3.39Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA3092552Name:
3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-phenethylpropanamideMol. Formula:
C19H19N3O2M.W.:
321.38Type:
Small moleculeAlogP:
2.21Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA3092551Name:
N-(2-hydroxybenzyl)-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamideMol. Formula:
C18H17N3O3M.W.:
323.35Type:
Small moleculeAlogP:
1.88Polar Surface Area:
95.08HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.67DETAILS- ALA3092550
Name:
N-(4-nitrobenzyl)-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamideMol. Formula:
C18H16N4O4M.W.:
352.35Type:
Small moleculeAlogP:
2.08Polar Surface Area:
117.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA3092549
Name:
N-(2-chlorobenzyl)-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamideMol. Formula:
C18H16ClN3O2M.W.:
341.80Type:
Small moleculeAlogP:
2.83Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA3092548
Name:
2-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl)quinazolin-4(3H)-oneMol. Formula:
C20H19N3O2M.W.:
333.39Type:
Small moleculeAlogP:
2.44Polar Surface Area:
66.06HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
1.71Polar Surface Area:
95.08HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA3092546
Name:
N-benzhydryl-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamideMol. Formula:
C24H21N3O2M.W.:
383.45Type:
Small moleculeAlogP:
3.76Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
4.15Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
2.13Polar Surface Area:
87.74HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA3092542
Name:
N-benzyl-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamideMol. Formula:
C18H17N3O2M.W.:
307.35Type:
Small moleculeAlogP:
2.17Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.13Polar Surface Area:
87.74HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
2.10Polar Surface Area:
95.08HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA3092533
Name:
N-benzhydryl-4-(4-oxo-3,4-dihydroquinazolin-2-yl)butanamideMol. Formula:
C25H23N3O2M.W.:
397.48Type:
Small moleculeAlogP:
4.15Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
3.05Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
Small moleculeAlogP:
3.05Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA3092530
Name:
(S)-4-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-(1-phenylethyl)butanamideMol. Formula:
C20H21N3O2M.W.:
335.41Type:
Small moleculeAlogP:
3.12Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA3092529
Name:
(R)-4-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-(1-phenylethyl)butanamideMol. Formula:
C20H21N3O2M.W.:
335.41Type:
Small moleculeAlogP:
3.12Polar Surface Area:
74.85HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS
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