Type:
---AlogP:
5.68Polar Surface Area:
138.52HBA:
12HBD:
2#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.16DETAILS
ALA4878887Name:
(3beta,5beta,14beta,16beta)-3,5,14,16-tetrahydroxybufa-20,22-dienolideMol. Formula:
C24H34O6M.W.:
418.53Type:
UnknownAlogP:
2.33Polar Surface Area:
111.13HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA4862565Name:
(3beta,5beta,10beta)-3,5-dihydroxy-14,15-epoxy-19-norbufa-20,22-dienolideMol. Formula:
C23H30O5M.W.:
386.49Type:
UnknownAlogP:
2.98Polar Surface Area:
83.20HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.73DETAILS
ALA4855778Name:
(3beta,5beta,14beta)-3,5,14-trihydroxy-19-norbufa-20,22-dienolideMol. Formula:
C23H32O5M.W.:
388.50Type:
UnknownAlogP:
2.97Polar Surface Area:
90.90HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
UnknownAlogP:
2.42Polar Surface Area:
128.20HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS- ALA4849730
Name:
(3beta,5beta,14beta)-3,5,10,14-tetrahydroxy-19-norbufa-20,22-dienolideMol. Formula:
C23H32O6M.W.:
404.50Type:
UnknownAlogP:
2.08Polar Surface Area:
111.13HBA:
6HBD:
4#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
UnknownAlogP:
3.90Polar Surface Area:
67.51HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA1796418
Name:
N-(4-(6-p-Tolyl-1,2,4,5-tetraoxan-3-yl)benzylidene)pyridin-3-amineMol. Formula:
C21H18N2O4M.W.:
362.39Type:
Small moleculeAlogP:
4.75Polar Surface Area:
62.17HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
1.85Polar Surface Area:
83.07HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
2.64Polar Surface Area:
59.28HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.70DETAILS -
Type:
Small moleculeAlogP:
2.75Polar Surface Area:
59.28HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
Small moleculeAlogP:
1.89Polar Surface Area:
102.42HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
1.78Polar Surface Area:
134.30HBA:
6HBD:
6#RO5 Violations:
1#Rotatable Bonds:
24Passes Ro3:
NQED Weighted:
0.12DETAILS -
Type:
Small moleculeAlogP:
2.30Polar Surface Area:
65.13HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
Small moleculeAlogP:
1.26Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
0.29Polar Surface Area:
255.91HBA:
17HBD:
9#RO5 Violations:
3#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.15DETAILS
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