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ALA2333940 Name:
cedryl acetate
Mol. Formula:
C17H28O2
M.W.:
264.41
Type:
Small molecule
AlogP:
4.18
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA2333939 Name:
2alpha,10beta-dihydroxycedryl acetate
Mol. Formula:
C17H28O4
M.W.:
296.41
Type:
Small molecule
AlogP:
2.27
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA2333938 Name:
3alpha,10beta-dihydroxycedryl acetate
Mol. Formula:
C17H28O4
M.W.:
296.41
Type:
Small molecule
AlogP:
2.12
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA2238167 Name:
N-Dihydrosinapoyl serotonin
Mol. Formula:
C21H24N2O5
M.W.:
384.43
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
103.81
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2238166 Name:
N-Dihydroferuloyl serotonin
Mol. Formula:
C20H22N2O4
M.W.:
354.41
Type:
Small molecule
AlogP:
2.88
Polar Surface Area:
94.58
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA2238165 Name:
N-dihydrocaffeoyl serotonin
Mol. Formula:
C19H20N2O4
M.W.:
340.38
Type:
Small molecule
AlogP:
2.58
Polar Surface Area:
105.58
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA2238164 Name:
N-Dihydro-p-coumaroylserotonin
Mol. Formula:
C19H20N2O3
M.W.:
324.38
Type:
Small molecule
AlogP:
2.87
Polar Surface Area:
85.35
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2234055 Name:
N-Dihydrocinnamoyl serotonin
Mol. Formula:
C19H20N2O2
M.W.:
308.38
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
65.12
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2235447 Name:
7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-2-yl)chroman-4-Show More⌵
Mol. Formula:
C21H22O5
M.W.:
354.40
Type:
Small molecule
AlogP:
4.63
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA2235446 Name:
7-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-5-methoxy-8-(5-methyl-2-(prop-1-en-Show More⌵
Mol. Formula:
C27H32O6
M.W.:
452.55
Type:
Small molecule
AlogP:
5.91
Polar Surface Area:
85.22
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2235445 Name:
1,3,8-trihydroxy-9-(3-methylbut-2-enyl)-7-(3-methylbut-2-enyloxy)-4-(2-methShow More⌵
Mol. Formula:
C30H32O7
M.W.:
504.58
Type:
Small molecule
AlogP:
7.13
Polar Surface Area:
113.27
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA2235444 Name:
8-(1,1-Dimethyl-allyl)-9,11-dihydroxy-3,3-dimethyl-5-(3-methyl-but-2-enyloxShow More⌵
Mol. Formula:
C30H30O7
M.W.:
502.56
Type:
Small molecule
AlogP:
7.10
Polar Surface Area:
102.27
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2235443 Name:
(3S,4S,5S,6R)-2-(5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yloxShow More⌵
Mol. Formula:
C21H22O12
M.W.:
466.40
Type:
Small molecule
AlogP:
-0.67
Polar Surface Area:
209.76
HBA:
12
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA2235442 Name:
(3S,4S,5S,6R)-2-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yloxy)-Show More⌵
Mol. Formula:
C21H22O11
M.W.:
450.40
Type:
Small molecule
AlogP:
-0.37
Polar Surface Area:
189.53
HBA:
11
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2235441 Name:
4-(but-2-enyl)-5-(7-hydroxy-6-(2-methylbut-3-en-2-yl)chroman-2-yl)-3-(3-metShow More⌵
Mol. Formula:
C29H36O4
M.W.:
448.60
Type:
Small molecule
AlogP:
6.96
Polar Surface Area:
69.92
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA2235440 Name:
2',2'-dimethyl-7'-(3-methylbut-2-enyl)-2,6'-bichroman-7,8'-diol
Mol. Formula:
C25H28O4
M.W.:
392.50
Type:
Small molecule
AlogP:
5.86
Polar Surface Area:
58.92
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA2235108 Name:
4-(7-hydroxychroman-2-yl)-3,6-bis(3-methylbut-2-enyl)benzene-1,2-diol
Mol. Formula:
C25H30O4
M.W.:
394.51
Type:
Small molecule
AlogP:
5.89
Polar Surface Area:
69.92
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA2235107 Name:
3-(3,4-dihydroxyphenyl)-1-(7-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enShow More⌵
Mol. Formula:
C20H18O5
M.W.:
338.36
Type:
Small molecule
AlogP:
3.88
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA492424 Name:
5,7-dihydroxy-2-(2-hydroxyphenyl)-8-(5-methyl-2-(prop-1-en-2-yl)hex-4-enyl)Show More⌵
Mol. Formula:
C25H28O5
M.W.:
408.49
Type:
Small molecule
AlogP:
5.60
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA492827 Name:
2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-(prop-1-en-2-yl)hShow More⌵
Mol. Formula:
C26H30O6
M.W.:
438.52
Type:
Small molecule
AlogP:
5.61
Polar Surface Area:
96.22
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
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