Type:
---AlogP:
1.97Polar Surface Area:
106.97HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS
Type:
---AlogP:
3.49Polar Surface Area:
168.80HBA:
12HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
---AlogP:
2.38Polar Surface Area:
94.45HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.54DETAILS
Type:
---AlogP:
5.87Polar Surface Area:
15.27HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.60DETAILS
ALA5274097Name:
N-(5-chloro-2-(phenylthio)phenyl)-3-(4-methylpiperazin-1-yl)propanimidamideMol. Formula:
C20H25ClN4SM.W.:
388.97Type:
---AlogP:
4.52Polar Surface Area:
42.36HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS-
Type:
---AlogP:
4.33Polar Surface Area:
53.99HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
---AlogP:
0.28Polar Surface Area:
146.29HBA:
9HBD:
5#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
---AlogP:
4.24Polar Surface Area:
64.99HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.39DETAILS -
Type:
---AlogP:
2.16Polar Surface Area:
78.90HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA5208362
Name:
(hydroxy(octylamino)methylene)bis(phosphonic acid)Mol. Formula:
C9H23NO7P2M.W.:
319.23Type:
---AlogP:
0.90Polar Surface Area:
147.32HBA:
4HBD:
6#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.20DETAILS - ALA5094883
Name:
8-(2-cyclohexylethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol hydrochlorideMol. Formula:
C17H26ClNO2M.W.:
311.85Type:
UnknownAlogP:
3.17Polar Surface Area:
41.49HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS -
Type:
UnknownAlogP:
4.55Polar Surface Area:
32.70HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS -
Type:
UnknownAlogP:
6.08Polar Surface Area:
32.70HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
3.00Polar Surface Area:
220.76HBA:
12HBD:
10#RO5 Violations:
3#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA5094285
Name:
(R)-4,6-bis(2-cyclohexylethoxy)-2-methyl-1,2,3,4-tetrahydroisoquinolineMol. Formula:
C26H41NO2M.W.:
399.62Type:
UnknownAlogP:
6.51Polar Surface Area:
21.70HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
UnknownAlogP:
-2.64Polar Surface Area:
185.99HBA:
13HBD:
6#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.22DETAILS - ALA5093775
Name:
(R)-8-(2-cyclohexylethoxy)-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-olMol. Formula:
C18H27NO2M.W.:
289.42Type:
UnknownAlogP:
3.51Polar Surface Area:
32.70HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS -
Type:
UnknownAlogP:
5.06Polar Surface Area:
32.70HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
3.29Polar Surface Area:
200.53HBA:
11HBD:
9#RO5 Violations:
3#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.17DETAILS - 2-Methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Name:
2-methyl-1,2,3,4-tetrahydroisoquinolin-6-olMol. Formula:
C10H13NOM.W.:
163.22Type:
UnknownAlogP:
1.38Polar Surface Area:
23.47HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
YQED Weighted:
0.62DETAILS
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