Type:
Small moleculeAlogP:
0.48Polar Surface Area:
184.60HBA:
12HBD:
6#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.13DETAILS
Type:
Small moleculeAlogP:
-2.66Polar Surface Area:
260.73HBA:
16HBD:
7#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.06DETAILS
Type:
Small moleculeAlogP:
-1.48Polar Surface Area:
248.20HBA:
15HBD:
7#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.07DETAILS
ALA3341957Name:
3,8-dihydroxy-9,10-dioxo-1-propyl-9,10-dihydroanthracene-2-carboxylic acidMol. Formula:
C18H14O6M.W.:
326.30Type:
Small moleculeAlogP:
2.52Polar Surface Area:
111.90HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS
Type:
Small moleculeAlogP:
5.23Polar Surface Area:
69.04HBA:
7HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS- ALA3341904
Name:
N-(3,5-dichlorophenyl)-2-hydroxy-5-iodobenzamideMol. Formula:
C13H8Cl2INO2M.W.:
408.02Type:
Small moleculeAlogP:
4.56Polar Surface Area:
49.33HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3222136
Name:
5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-5-nitrophenyl)hepta-1,4,6-trien-3-oneMol. Formula:
C21H18N2O10M.W.:
458.38Type:
Small moleculeAlogP:
3.67Polar Surface Area:
182.50HBA:
10HBD:
3#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.16DETAILS -
Type:
Small moleculeAlogP:
1.21Polar Surface Area:
175.75HBA:
7HBD:
7#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.29DETAILS -
Type:
Small moleculeAlogP:
3.07Polar Surface Area:
289.04HBA:
14HBD:
10#RO5 Violations:
3#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.08DETAILS -
Type:
Small moleculeAlogP:
2.92Polar Surface Area:
289.04HBA:
14HBD:
10#RO5 Violations:
3#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.07DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
1.01Polar Surface Area:
110.13HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
0.34Polar Surface Area:
97.89HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.17Polar Surface Area:
52.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA1241036
Name:
Ac-WRIARLEEKVKTLKAQNSELASTANMLREQVAQLKQKVCC-NH2Mol. Formula:
C200H344N62O59S3M.W.:
4657.53Type:
ProteinAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
6.87Polar Surface Area:
59.81HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.31DETAILS -
Type:
Small moleculeAlogP:
6.52Polar Surface Area:
59.81HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.33DETAILS - ALA474718
Name:
2-(4-Methyl-2-phenylamino-thiazol-5-yl)-3-o-tolyl-3H-quinazolin-4-oneMol. Formula:
C25H20N4OSM.W.:
424.53Type:
Small moleculeAlogP:
5.87Polar Surface Area:
59.81HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA515276
Name:
2-(4-Methyl-2-methylamino-thiazol-5-yl)-3-o-tolyl-3H-quinazolin-4-oneMol. Formula:
C20H18N4OSM.W.:
362.46Type:
Small moleculeAlogP:
4.17Polar Surface Area:
59.81HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.59DETAILS
The page will load shortly, Thanks for your patience!
Select all
