ID: ALA614392
Type: CELL-LINE
Organism: Homo sapiens
Species Group: Homo sapiens
Name: HaCaT
Description: HaCaT (Keratinocytes)
Source tissue: Keratinocytes
Source Organism: Homo sapiens
Source Tax ID: 9606
Experimental Factor Ontology: EFO_0002056
Cellosaurus: CVCL_0038
Name:
5-(3,6-Dimethoxy-cyclohexa-1,5-dienylmethoxy)-2-hydroxy-benzoic acid methyl ester
Mol. Formula:
C17H20O6
M.W.:
320.34
Type:
Small molecule
AlogP:
2.43
Polar Surface Area:
74.22
HBA:
6
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
Name:
5-[2-(2,5-Dimethoxy-phenyl)-vinyl]-2-hydroxy-benzoic acid methyl ester
Mol. Formula:
C18H18O5
M.W.:
314.34
Type:
Small molecule
AlogP:
3.37
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
Name:
5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-2-hydroxy-benzoic acid methyl ester
Mol. Formula:
C16H16O5
M.W.:
288.30
Type:
Small molecule
AlogP:
2.38
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
Name:
5-(2,5-Dimethoxy-phenoxymethyl)-2-hydroxy-benzoic acid methyl ester
Mol. Formula:
C17H18O6
M.W.:
318.33
Type:
Small molecule
AlogP:
2.78
Polar Surface Area:
74.22
HBA:
6
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
Name:
5-(3,6-Dimethoxy-cyclohexa-1,5-dienylmethoxy)-2-hydroxy-benzoic acid
Mol. Formula:
C16H18O6
M.W.:
306.31
Type:
Small molecule
AlogP:
2.34
Polar Surface Area:
85.22
HBA:
5
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.84
Name:
5-[2-(2,5-Dimethoxy-phenyl)-ethyl]-2-hydroxy-benzoic acid methyl ester
Mol. Formula:
C18H20O5
M.W.:
316.35
Type:
Small molecule
AlogP:
2.98
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
Name:
5-(2,5-Dimethoxy-benzylamino)-2-hydroxy-benzoic acid
Mol. Formula:
C16H17NO5
M.W.:
303.31
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
88.02
HBA:
5
HBD:
3
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
Name:
5-[(2,5-Dimethoxy-phenylamino)-methyl]-2-hydroxy-benzoic acid methyl ester
Mol. Formula:
C17H19NO5
M.W.:
317.34
Type:
Small molecule
AlogP:
2.81
Polar Surface Area:
77.02
HBA:
6
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.80
Name:
5-[2-(2,5-Dimethoxy-phenyl)-ethyl]-2-hydroxy-benzoic acid
Mol. Formula:
C17H18O5
M.W.:
302.33
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
75.99
HBA:
4
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.86
Name:
[2-({(R)-2-[3-(3,4-Dimethyl-2,5-dioxo-cyclopent-3-enylamino)-4,5,6-trihydroxy-tetrahydro-pyran-2-yloxy]-3-octadecyloxy-propoxy}-hydroxy-phosphoryloxy)-ethyl]-trimethyl-ammonium
Mol. Formula:
C38H71N2O12P
M.W.:
778.96
Type:
Small molecule
AlogP:
4.07
Polar Surface Area:
193.14
HBA:
13
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
30
Passes Ro3:
N
QED Weighted:
0.04