ALA5276508Name:
4-oxo-3,5-bis(3,4,5-trimethoxybenzylidene)piperidine-1-carbaldehydeMol. Formula:
C26H29NO8M.W.:
483.52Type:
---AlogP:
3.25Polar Surface Area:
92.76HBA:
8HBD:
---#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.40DETAILS
Type:
---AlogP:
7.36Polar Surface Area:
146.05HBA:
7HBD:
4#RO5 Violations:
2#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
UnknownAlogP:
3.52Polar Surface Area:
64.86HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS
Type:
Small moleculeAlogP:
2.86Polar Surface Area:
100.16HBA:
8HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
Small moleculeAlogP:
3.87Polar Surface Area:
65.46HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS-
Type:
Small moleculeAlogP:
3.30Polar Surface Area:
118.50HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
Small moleculeAlogP:
2.34Polar Surface Area:
62.55HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS -
Type:
Small moleculeAlogP:
4.06Polar Surface Area:
104.37HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
8.81Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
5.71Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
5.71Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
Small moleculeAlogP:
8.81Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.24DETAILS -
Type:
Small moleculeAlogP:
3.40Polar Surface Area:
134.70HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.26DETAILS -
Type:
Small moleculeAlogP:
3.88Polar Surface Area:
127.31HBA:
8HBD:
2#RO5 Violations:
1#Rotatable Bonds:
17Passes Ro3:
NQED Weighted:
0.06DETAILS -
Type:
Small moleculeAlogP:
3.14Polar Surface Area:
137.67HBA:
6HBD:
4#RO5 Violations:
1#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
5.91Polar Surface Area:
134.87HBA:
7HBD:
3#RO5 Violations:
2#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.03DETAILS -
Type:
Small moleculeAlogP:
3.59Polar Surface Area:
125.64HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
3.90Polar Surface Area:
136.54HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.04DETAILS - Teglarinad chloride
Name:
4-pyridyl-cyanoguanidine derivativeMol. Formula:
C30H43Cl2N5O8M.W.:
672.61Type:
Small moleculeAlogP:
3.91Polar Surface Area:
145.77HBA:
10HBD:
2#RO5 Violations:
1#Rotatable Bonds:
23Passes Ro3:
NQED Weighted:
0.03DETAILS - ALA104069
Name:
(E)-(6-(2-chlorophenoxy)hexyl)-2-cyano-3-(pyridin-4-yl)guanidineMol. Formula:
C19H22ClN5OM.W.:
371.87Type:
Small moleculeAlogP:
4.21Polar Surface Area:
82.33HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.23DETAILS
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