Type:
Small moleculeAlogP:
3.03Polar Surface Area:
45.75HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS- ALA2417888
Name:
5-(4-(4-(dimethylamino)butoxy)phenyl)-3-(4-methoxybenzyl)pyrazin-2(1H)-oneMol. Formula:
C24H29N3O3M.W.:
407.51Type:
Small moleculeAlogP:
3.76Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.52DETAILS Type:
Small moleculeAlogP:
6.04Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILSType:
Small moleculeAlogP:
5.82Polar Surface Area:
76.68HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.27DETAILSType:
Small moleculeAlogP:
5.35Polar Surface Area:
78.45HBA:
5HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.33DETAILS- ALA2417884
Name:
5-(4-(3-(dimethylamino)propoxy)phenyl)-3-(4-methoxybenzyl)pyrazin-2(1H)-oneMol. Formula:
C23H27N3O3M.W.:
393.49Type:
Small moleculeAlogP:
3.37Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA2417883
Name:
3-(4-methoxybenzyl)-5-(4-(3-morpholinopropoxy)phenyl)pyrazin-2(1H)-oneMol. Formula:
C25H29N3O4M.W.:
435.52Type:
Small moleculeAlogP:
3.14Polar Surface Area:
76.68HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.52DETAILS Type:
Small moleculeAlogP:
6.43Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.24DETAILSType:
Small moleculeAlogP:
5.42Polar Surface Area:
76.68HBA:
6HBD:
1#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.31DETAILSType:
Small moleculeAlogP:
4.42Polar Surface Area:
58.22HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.61DETAILSType:
Small moleculeAlogP:
5.02Polar Surface Area:
82.80HBA:
4HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.27DETAILSType:
Small moleculeAlogP:
5.36Polar Surface Area:
74.01HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.28DETAILSType:
Small moleculeAlogP:
5.33Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.41DETAILSType:
Small moleculeAlogP:
4.92Polar Surface Area:
76.24HBA:
5HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.36DETAILSType:
Small moleculeAlogP:
5.26Polar Surface Area:
67.45HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.37DETAILS- ALA2417777
Name:
3-benzyl-5-(3,5-dibromo-4-(3-(methylamino)propoxy)phenyl)pyrazin-2(1H)-oneMol. Formula:
C21H21Br2N3O2M.W.:
507.23Type:
Small moleculeAlogP:
4.54Polar Surface Area:
67.01HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS Type:
Small moleculeAlogP:
4.88Polar Surface Area:
58.22HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.43DETAILS