Type:
UnknownAlogP:
1.11Polar Surface Area:
96.60HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.87DETAILS
Fasudil HydrochlorideName:
5-(1,4-diazepan-1-ylsulfonyl)isoquinolineMol. Formula:
C14H18ClN3O2SM.W.:
327.84Type:
Small moleculeAlogP:
1.22Polar Surface Area:
62.30HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.90DETAILS
Type:
Small moleculeAlogP:
2.17Polar Surface Area:
68.01HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS
Type:
Small moleculeAlogP:
2.95Polar Surface Area:
68.01HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.87DETAILS
Type:
Small moleculeAlogP:
4.90Polar Surface Area:
68.01HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.59DETAILS-
Type:
Small moleculeAlogP:
2.17Polar Surface Area:
68.01HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
2.95Polar Surface Area:
68.01HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA375556
Name:
N-[1-(4-chlorobenzyl)-3-pyrrolidyl]-N-(5-isoquinolyl)amineMol. Formula:
C20H20ClN3M.W.:
337.85Type:
Small moleculeAlogP:
4.57Polar Surface Area:
28.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA223815
Name:
N-[1-(3-chlorobenzyl)-3-pyrrolidyl]-N-(5-isoquinolyl)amineMol. Formula:
C20H20ClN3M.W.:
337.85Type:
Small moleculeAlogP:
4.57Polar Surface Area:
28.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA389926
Name:
N-[1-(2-chlorobenzyl)-3-pyrrolidyl]-N-(5-isoquinolyl)amineMol. Formula:
C20H20ClN3M.W.:
337.85Type:
Small moleculeAlogP:
4.57Polar Surface Area:
28.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA225492
Name:
N-[1-(4-chlorobenzyl)-3-piperidyl]-N-(5-isoquinolyl)amineMol. Formula:
C21H22ClN3M.W.:
351.88Type:
Small moleculeAlogP:
4.96Polar Surface Area:
28.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA389254
Name:
N-[1-(3-chlorobenzyl)-3-piperidyl]-N-(5-isoquinolyl)amineMol. Formula:
C21H22ClN3M.W.:
351.88Type:
Small moleculeAlogP:
4.96Polar Surface Area:
28.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA224508
Name:
N-[1-(2-chlorobenzyl)-3-piperidyl]-N-(5-isoquinolyl)amineMol. Formula:
C21H22ClN3M.W.:
351.88Type:
Small moleculeAlogP:
4.96Polar Surface Area:
28.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA375736
Name:
N-(1-isopentyl-3-pyrrolidyl)-N-(5-isoquinolyl)amineMol. Formula:
C19H27N3M.W.:
297.45Type:
Small moleculeAlogP:
4.16Polar Surface Area:
28.16HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA224417
Name:
N1-phenylethyl-N4-(5-isoquinolyl)-1,4-cyclohexanediamineMol. Formula:
C23H27N3M.W.:
345.49Type:
Small moleculeAlogP:
4.79Polar Surface Area:
36.95HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA224362
Name:
N1-phenylethyl-N4-(5-isoquinolyl)-1,4-cyclohexanediamineMol. Formula:
C23H27N3M.W.:
345.49Type:
Small moleculeAlogP:
4.79Polar Surface Area:
36.95HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.67DETAILS - ALA375735
Name:
N1-cyclopropyl-N4-(5-isoquinolyl)-1,4-cyclohexanediamineMol. Formula:
C18H23N3M.W.:
281.40Type:
Small moleculeAlogP:
3.71Polar Surface Area:
36.95HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA224361
Name:
N1-cyclopropyl-N4-(5-isoquinolyl)-1,4-cyclohexanediamineMol. Formula:
C18H23N3M.W.:
281.40Type:
Small moleculeAlogP:
3.71Polar Surface Area:
36.95HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA224360
Name:
N1-propyl-N4-(5-isoquinolyl)-1,4-cyclohexanediamineMol. Formula:
C18H25N3M.W.:
283.42Type:
Small moleculeAlogP:
3.96Polar Surface Area:
36.95HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA266512
Name:
N1-propyl-N4-(5-isoquinolyl)-1,4-cyclohexanediamineMol. Formula:
C18H25N3M.W.:
283.42Type:
Small moleculeAlogP:
3.96Polar Surface Area:
36.95HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.87DETAILS
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