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ALA474465 Name:
meliantrol
Mol. Formula:
C28H46O5
M.W.:
462.67
Type:
Small molecule
AlogP:
4.17
Polar Surface Area:
90.15
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA477129 Name:
giganticine
Mol. Formula:
C13H16N2O5
M.W.:
280.28
Type:
Small molecule
AlogP:
1.52
Polar Surface Area:
104.73
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA102818 Name:
(2S,3S)-2-[((R)-1-{(R)-2-[2-(2-Amino-5-guanidino-pentanoylamino)-3-((R)-4-hShow More⌵
Mol. Formula:
C31H50N8O8
M.W.:
662.79
Type:
Protein
AlogP:
-1.34
Polar Surface Area:
275.79
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA316746 Name:
N-{3-[(5R,8S,11S,14S,16aS)-8-(4-Hydroxy-benzyl)-14-((S)-1-hydroxy-ethyl)-5-Show More⌵
Mol. Formula:
C30H46N8O7
M.W.:
630.75
Type:
Protein
AlogP:
-1.64
Polar Surface Area:
241.57
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA292761 Name:
2-[1-[2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butylcarboxamido]-2-(4-hShow More⌵
Mol. Formula:
C31H50N8O8
M.W.:
662.79
Type:
Protein
AlogP:
-1.39
Polar Surface Area:
267.00
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA65750 Name:
2-[1-[2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butylcarboxamido]-2-(4-hShow More⌵
Mol. Formula:
C31H50N8O8
M.W.:
662.79
Type:
Protein
AlogP:
-1.39
Polar Surface Area:
267.00
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA305356 Name:
2-[1-[2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butyl(methyl)carboxamidoShow More⌵
Mol. Formula:
C31H50N8O8
M.W.:
662.79
Type:
Protein
AlogP:
-1.39
Polar Surface Area:
267.00
HBA:
9
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA305355 Name:
2-[1-[2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butylcarboxamido]-2-(4-hShow More⌵
Mol. Formula:
C30H48N8O8
M.W.:
648.76
Type:
Protein
AlogP:
-1.73
Polar Surface Area:
275.79
HBA:
9
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
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