Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
Small moleculeAlogP:
1.24Polar Surface Area:
86.63HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS- ALA2022332
Name:
2-hydroxy-3-(pyrrolidin-1-ylmethyl)naphthalene-1,4-dioneMol. Formula:
C15H15NO3M.W.:
257.29Type:
Small moleculeAlogP:
1.97Polar Surface Area:
57.61HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.88DETAILS - ALA2022331
Name:
2-((cyclopentylamino)methyl)-3-hydroxynaphthalene-1,4-dioneMol. Formula:
C16H17NO3M.W.:
271.32Type:
Small moleculeAlogP:
2.41Polar Surface Area:
66.40HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA2022330
Name:
2-(2-azabicyclo[2.2.2]octan-2-ylmethyl)-3-hydroxynaphthalene-1,4-dioneMol. Formula:
C18H19NO3M.W.:
297.35Type:
Small moleculeAlogP:
2.75Polar Surface Area:
57.61HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
Small moleculeAlogP:
0.38Polar Surface Area:
66.84HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
0.54Polar Surface Area:
46.53HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
4.14Polar Surface Area:
163.36HBA:
16HBD:
---#RO5 Violations:
2#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA553486
Name:
3-O-acetyl-5-O-[N-(2-aminobenzoyl)]anthraniloyl-20-O-angelylingenolMol. Formula:
C41H46N2O9M.W.:
710.82Type:
Small moleculeAlogP:
5.60Polar Surface Area:
171.32HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA553620
Name:
3-O-angelyl-5-O-[N-(2-aminobenzoyl)]anthraniloyl-20-O-acetylingenolMol. Formula:
C41H46N2O9M.W.:
710.82Type:
Small moleculeAlogP:
5.60Polar Surface Area:
171.32HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA553618
Name:
3-O-[N-(2-aminobenzoyl)]anthraniloyl-5-O-angelyl-20-O-acetylingenolMol. Formula:
C41H46N2O9M.W.:
710.82Type:
Small moleculeAlogP:
5.60Polar Surface Area:
171.32HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA558844
Name:
3-O-[N-(2-aminobenzoyl)]-5-O-acetyl-20-O-angelylingenolMol. Formula:
C41H46N2O9M.W.:
710.82Type:
Small moleculeAlogP:
5.60Polar Surface Area:
171.32HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA552708
Name:
3-O-[N-(2-aminobenzoyl)]anthraniloyl-20-O-acetylingenolMol. Formula:
C36H40N2O8M.W.:
628.72Type:
Small moleculeAlogP:
4.09Polar Surface Area:
165.25HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS - ALA556121
Name:
3,20-O-diacetyl-5-O-[N-(2-aminobenzoyl)]anthraniloylingenolMol. Formula:
C38H42N2O9M.W.:
670.76Type:
Small moleculeAlogP:
4.66Polar Surface Area:
171.32HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA538686
Name:
3-O-acetyl-5-O-angelyl-20-O-[N-(2-aminobenzoyl)]anthraniloylingenolMol. Formula:
C41H46N2O9M.W.:
710.82Type:
Small moleculeAlogP:
5.60Polar Surface Area:
171.32HBA:
10HBD:
3#RO5 Violations:
2#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.10DETAILS - ALA554401
Name:
5,20-O-diacetyl-3-O-[N-(2-aminobenzoyl)]anthraniloylingenolMol. Formula:
C38H42N2O9M.W.:
670.76Type:
Small moleculeAlogP:
4.66Polar Surface Area:
171.32HBA:
10HBD:
3#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA554979
Name:
20-O-[N-(2-aminobenzoyl)]anthraniloyl-3-O-acetylingenolMol. Formula:
C36H40N2O8M.W.:
628.72Type:
Small moleculeAlogP:
4.09Polar Surface Area:
165.25HBA:
9HBD:
4#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS
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