ALA1939843Name:
4,4',4''-methanetriyltriphenolCas Number:
603-44-1Mol. Formula:
C19H16O3M.W.:
292.33Type:
Small moleculeAlogP:
3.98Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.64DETAILS
ALA1939842Name:
4,4'-(2-ethylbutane-1,1-diyl)diphenolCas Number:
92569-29-4Mol. Formula:
C18H22O2M.W.:
270.37Type:
Small moleculeAlogP:
4.67Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.83DETAILS
Type:
Small moleculeAlogP:
4.79Polar Surface Area:
40.46HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA1939840Name:
6-hydroxy-9-(2-hydroxyphenyl)-3H-xanthen-3-oneCas Number:
199991-33-8Mol. Formula:
C19H12O4M.W.:
304.30Type:
Small moleculeAlogP:
3.98Polar Surface Area:
70.67HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.52DETAILS
Type:
Small moleculeAlogP:
3.42Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.42DETAILS- ALA1939838
Name:
4,4'-(hydroxy(phenyl)methylene)dinaphthalen-1-olCas Number:
6948-88-5Mol. Formula:
C27H20O3M.W.:
392.45Type:
Small moleculeAlogP:
5.69Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.35DETAILS - ALA1939837
Name:
4-(4-(4-hydroxyphenyl)hexan-3-yl)benzene-1,2-diolCas Number:
101787-90-0Mol. Formula:
C18H22O3M.W.:
286.37Type:
Small moleculeAlogP:
4.49Polar Surface Area:
60.69HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
Small moleculeAlogP:
-1.38Polar Surface Area:
115.94HBA:
8HBD:
3#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
-0.29Polar Surface Area:
138.00HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
6.49Polar Surface Area:
121.25HBA:
9HBD:
2#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS
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