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ALA4645250 Name:
Inumakoic acid
Mol. Formula:
C20H28O3
M.W.:
316.44
Type:
Unknown
AlogP:
4.61
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4643338 Name:
Ursolic acid lactone
Mol. Formula:
C30H46O3
M.W.:
454.70
Type:
Unknown
AlogP:
6.54
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4636385 Name:
3alpha,7beta-dihydroxy-ent-kaur-16-en-15-one
Mol. Formula:
C20H30O3
M.W.:
318.46
Type:
Unknown
AlogP:
3.10
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4632517 Name:
Ent-3alpha-hydroxykaurene-15-one
Mol. Formula:
C24H36O4
M.W.:
388.55
Type:
Unknown
AlogP:
5.06
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4569028 Name:
Rubrumol
Mol. Formula:
C15H16O5
M.W.:
276.29
Type:
Unknown
AlogP:
0.45
Polar Surface Area:
97.99
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4554341 Name:
13-[2-(Dimethylamino)ethyl]-3,10-dihydroxy-2,11-dimethoxybenzo[g][1]benzopyShow More⌵
Mol. Formula:
C27H25F3N2O8
M.W.:
562.50
Type:
Unknown
AlogP:
4.04
Polar Surface Area:
97.30
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4552837 Name:
3,10-Dihydroxy-2,11-dimethoxy-13-methylbenzo[g][1]benzopyrano[4,3-b]indol-6Show More⌵
Mol. Formula:
C22H17NO6
M.W.:
391.38
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
94.06
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4533201 Name:
Eucalypglobulusal A
Mol. Formula:
C28H38O7
M.W.:
486.61
Type:
Unknown
AlogP:
4.90
Polar Surface Area:
132.13
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4532719 Name:
3,10-Dihydroxy-2,11-dimethoxybenzo[g][1]benzopyrano[4,3-b]indol-6(13H)-one
Mol. Formula:
C21H15NO6
M.W.:
377.35
Type:
Unknown
AlogP:
4.01
Polar Surface Area:
104.92
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4447038 Name:
2,11-dimethoxy-13-methyl-6-oxo-6,13-dihydrobenzo[g][1]benzopyrano[4,3-b]indShow More⌵
Mol. Formula:
C36H37F6N3O12
M.W.:
817.69
Type:
Unknown
AlogP:
4.39
Polar Surface Area:
158.24
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA515747 Name:
2alpha,3beta,24-trihydroxyolean-12-en-28-oic acid
Mol. Formula:
C30H48O5
M.W.:
488.71
Type:
Small molecule
AlogP:
5.18
Polar Surface Area:
97.99
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
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