Type:
UnknownAlogP:
3.28Polar Surface Area:
119.05HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.18DETAILS
ALA2164720Name:
1-Methyl-2-propyl-7-benzyloxy-9-benzyl-beta-carbolin-2-ium bromideMol. Formula:
C29H29BrN2OM.W.:
501.47Type:
Small moleculeAlogP:
6.43Polar Surface Area:
18.04HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS
ALA2164719Name:
1-Methyl-2-phenethyl-7-benzyloxy-9-benzyl-beta-carbolin-2-ium bromideMol. Formula:
C34H31BrN2OM.W.:
563.54Type:
Small moleculeAlogP:
7.26Polar Surface Area:
18.04HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
Small moleculeAlogP:
7.21Polar Surface Area:
18.04HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.22DETAILS
Type:
Small moleculeAlogP:
7.21Polar Surface Area:
18.04HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.22DETAILS- ALA2164715
Name:
1-Methyl-2-benzyl-7-benzyloxy-beta-carboline bromideMol. Formula:
C26H23BrN2OM.W.:
459.39Type:
Small moleculeAlogP:
5.54Polar Surface Area:
28.90HBA:
1HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS -
Type:
Small moleculeAlogP:
5.49Polar Surface Area:
27.05HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA2164713
Name:
1-Methyl-7-(3-methylbutyloxy)-9-(3-methylbutyl)-beta-carbolineMol. Formula:
C22H30N2OM.W.:
338.50Type:
Small moleculeAlogP:
5.97Polar Surface Area:
27.05HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA2164711
Name:
1-Methyl-7-(4-fluorobenzyloxy)-9-(4-fluorobenzyl)-beta-carbolineMol. Formula:
C26H20F2N2OM.W.:
414.46Type:
Small moleculeAlogP:
6.40Polar Surface Area:
27.05HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA2164710
Name:
1-Methyl-7-(3-fluorobenzyloxy)-9-(3-fluorobenzyl)-beta-carbolineMol. Formula:
C26H20F2N2OM.W.:
414.46Type:
Small moleculeAlogP:
6.40Polar Surface Area:
27.05HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
4.25Polar Surface Area:
38.05HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA2164707
Name:
1-methyl-7-(naphthalen-1-ylmethoxy)-9H-pyrido[3,4-b]indoleMol. Formula:
C23H18N2OM.W.:
338.41Type:
Small moleculeAlogP:
5.76Polar Surface Area:
37.91HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.24Polar Surface Area:
54.98HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
6.91Polar Surface Area:
18.04HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
6.57Polar Surface Area:
18.04HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
6.57Polar Surface Area:
18.04HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA2164702
Name:
1-Methyl-2-benzyl-7-benzyloxy-9-propyl-beta-carbolin-2-ium bromideMol. Formula:
C29H29BrN2OM.W.:
501.47Type:
Small moleculeAlogP:
6.43Polar Surface Area:
18.04HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
7.10Polar Surface Area:
18.04HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
6.91Polar Surface Area:
18.04HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
4.85Polar Surface Area:
38.27HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.54DETAILS
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