Type:
---AlogP:
5.00Polar Surface Area:
109.37HBA:
11HBD:
---#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.37DETAILS
ALA4750550Name:
2-p-tolyl-9H-quinolino[4,3,2-de][1,10]phenanthrolin-9-oneMol. Formula:
C25H15N3OM.W.:
373.42Type:
UnknownAlogP:
5.36Polar Surface Area:
55.74HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.36DETAILS
ALA4742969Name:
2-(pyridin-2-yl)-9H-quinolino[4,3,2-de][1,10]phenanthrolin-9-oneMol. Formula:
C23H12N4OM.W.:
360.38Type:
UnknownAlogP:
4.45Polar Surface Area:
68.63HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
Small moleculeAlogP:
2.86Polar Surface Area:
85.22HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.89DETAILS
Type:
Small moleculeAlogP:
7.72Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.43DETAILS- ALA3827133
Name:
4-hydroxy-2-methoxyphenyl-6-O-syringoyl-beta-D-glucopyranosideMol. Formula:
C22H26O12M.W.:
482.44Type:
Small moleculeAlogP:
0.17Polar Surface Area:
173.60HBA:
12HBD:
5#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
0.68Polar Surface Area:
174.99HBA:
13HBD:
5#RO5 Violations:
2#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
Small moleculeAlogP:
-0.78Polar Surface Area:
141.73HBA:
9HBD:
5#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
1.75Polar Surface Area:
62.58HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.81DETAILS -
Type:
Small moleculeAlogP:
-2.64Polar Surface Area:
215.83HBA:
13HBD:
8#RO5 Violations:
3#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.19DETAILS -
Type:
Small moleculeAlogP:
-1.50Polar Surface Area:
178.53HBA:
11HBD:
7#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA3221214
Name:
(3E,5E)-3,5-Bis(2,4-dichlorobenzylidene)-1-(phenylsulfonyl)piperidin-4-oneMol. Formula:
C25H17Cl4NO3SM.W.:
553.29Type:
Small moleculeAlogP:
7.04Polar Surface Area:
54.45HBA:
3HBD:
---#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS -
Type:
Small moleculeAlogP:
4.27Polar Surface Area:
91.29HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
Small moleculeAlogP:
2.58Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
-1.43Polar Surface Area:
242.13HBA:
15HBD:
8#RO5 Violations:
3#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.09DETAILS -
Type:
Small moleculeAlogP:
4.32Polar Surface Area:
103.18HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
4.86Polar Surface Area:
83.64HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.23DETAILS -
Type:
Small moleculeAlogP:
7.62Polar Surface Area:
92.07HBA:
5HBD:
3#RO5 Violations:
2#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.21DETAILS -
Type:
Small moleculeAlogP:
1.90Polar Surface Area:
75.06HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA2413413
Name:
2-(3-Phenylprop-2-en-1-ylidene)-22beta-hydroxy-3-oxoolean-12-en-28-oic acidMol. Formula:
C39H52O4M.W.:
584.84Type:
Small moleculeAlogP:
8.66Polar Surface Area:
74.60HBA:
3HBD:
2#RO5 Violations:
2#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.28DETAILS
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