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ALA449220 Name:
cucurbitacin C
Mol. Formula:
C32H48O8
M.W.:
560.73
Type:
Small molecule
AlogP:
3.29
Polar Surface Area:
141.36
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA455613 Name:
Hop-22(29)-ene
Mol. Formula:
C30H50
M.W.:
410.73
Type:
Small molecule
AlogP:
9.05
Polar Surface Area:
0.00
HBA:
---
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
Campesterol Name:
campesterol
Mol. Formula:
C28H48O
M.W.:
400.69
Type:
Small molecule
AlogP:
7.63
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
Lupenone Name:
lupenone
Mol. Formula:
C30H48O
M.W.:
424.71
Type:
Small molecule
AlogP:
8.23
Polar Surface Area:
17.07
HBA:
1
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
Type:
Small molecule
AlogP:
2.47
Polar Surface Area:
158.43
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA485801 Name:
Tetrahymanol
Mol. Formula:
C30H52O
M.W.:
428.75
Type:
Small molecule
AlogP:
8.25
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
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