Type:
---AlogP:
-3.66Polar Surface Area:
175.19HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.21DETAILS
Type:
---AlogP:
3.67Polar Surface Area:
86.71HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
---AlogP:
-3.19Polar Surface Area:
139.31HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.41DETAILS
Type:
---AlogP:
3.06Polar Surface Area:
78.67HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS
ALA4642690Name:
Epiandrosterone (S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl etherMol. Formula:
C27H46N2O3M.W.:
446.68Type:
UnknownAlogP:
3.59Polar Surface Area:
53.01HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS- ALA4642042
Name:
Epiandrosterone (R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl etherMol. Formula:
C27H46N2O3M.W.:
446.68Type:
UnknownAlogP:
3.59Polar Surface Area:
53.01HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA4635951
Name:
Epiandrosterone (S)-2-hydroxy-3-morpholinopropyl etherMol. Formula:
C26H43NO4M.W.:
433.63Type:
UnknownAlogP:
3.68Polar Surface Area:
59.00HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4634706
Name:
Epiandrosterone (R)-2-hydroxy-3-morpholinopropyl etherMol. Formula:
C26H43NO4M.W.:
433.63Type:
UnknownAlogP:
3.68Polar Surface Area:
59.00HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
UnknownAlogP:
5.54Polar Surface Area:
43.37HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA4172694
Name:
Methyl 6-deoxy-6-[(3-guanidinopropyl)sulfonyl]-alpha-D-glucopyranosideMol. Formula:
C11H23N3O7SM.W.:
341.39Type:
Small moleculeAlogP:
-3.27Polar Surface Area:
175.19HBA:
8HBD:
6#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.16DETAILS - ALA4169301
Name:
Methyl 6-[(2-cyanoethyl)sulfonyl]-6-deoxy-alpha-D-glucopyranosideMol. Formula:
C10H17NO7SM.W.:
295.31Type:
Small moleculeAlogP:
-2.23Polar Surface Area:
137.08HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA4167547
Name:
Methyl 6-[(3-aminopropyl)thio]-6-deoxy-alpha-D-glucopyranosideMol. Formula:
C10H21NO5SM.W.:
267.35Type:
Small moleculeAlogP:
-1.48Polar Surface Area:
105.17HBA:
7HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
3.93Polar Surface Area:
61.44HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA4164794
Name:
Methyl 6-(2-aminoethanesulfonamido)-6-deoxy-alpha-D-glucopyranosideMol. Formula:
C9H20N2O7SM.W.:
300.33Type:
Small moleculeAlogP:
-3.68Polar Surface Area:
151.34HBA:
8HBD:
5#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4162427
Name:
Methyl 6-deoxy-6-(2-guanidinoethanesulfonamido)-alpha-D-glucopyranosideMol. Formula:
C10H22N4O7SM.W.:
342.37Type:
Small moleculeAlogP:
-4.16Polar Surface Area:
187.22HBA:
8HBD:
7#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.18DETAILS - ALA4161382
Name:
Methyl 6-[(3-aminopropyl)sulfonyl]-6-deoxy-alpha-D-glucopyranosideMol. Formula:
C10H21NO7SM.W.:
299.35Type:
Small moleculeAlogP:
-2.80Polar Surface Area:
139.31HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4159624
Name:
Methyl 6-[(2-cyanoethyl)thio]-6-deoxy-alpha-D-glucopyranosideMol. Formula:
C10H17NO5SM.W.:
263.31Type:
Small moleculeAlogP:
-0.91Polar Surface Area:
102.94HBA:
7HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA2057980
Name:
(3beta,5alpha)-3,17-Dihydroxypregnane-11,20-dioneMol. Formula:
C21H32O4M.W.:
348.48Type:
Small moleculeAlogP:
2.89Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.68Polar Surface Area:
77.76HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA2057978
Name:
(3beta,5alpha)-3,21-Dihydroxypregnane-11,20-dioneMol. Formula:
C21H32O4M.W.:
348.48Type:
Small moleculeAlogP:
2.75Polar Surface Area:
74.60HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.80DETAILS
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