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ALA5176415 Name:
Mol. Formula:
C24H27NO7
M.W.:
441.48
Type:
---
AlogP:
3.23
Polar Surface Area:
133.16
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA1773150 Name:
3-{3-[(1R,5S,7S,9S)-3,12-dihydroxy-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1Show More⌵
Mol. Formula:
C24H27NO9
M.W.:
473.48
Type:
Small molecule
AlogP:
2.09
Polar Surface Area:
173.62
HBA:
8
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1773149 Name:
3-(4-(2-(4-(2-hydroxy-3-methoxypropoxy)phenyl)propan-2-yl)phenoxy)propane-1Show More⌵
Mol. Formula:
C22H30O6
M.W.:
390.48
Type:
Small molecule
AlogP:
2.13
Polar Surface Area:
88.38
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA1773148 Name:
12-hydroxyplatencinic acid methyl ester
Mol. Formula:
C18H24O4
M.W.:
304.39
Type:
Small molecule
AlogP:
2.42
Polar Surface Area:
63.60
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA1773147 Name:
3-((S)-5-Methyl-9-methylene-4-oxo-tricyclo[6.2.2.0*1,6*]dodec-2-en-5-yl)-prShow More⌵
Mol. Formula:
C20H28O5
M.W.:
348.44
Type:
Small molecule
AlogP:
2.17
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA1773146 Name:
platencin A11
Mol. Formula:
C24H29NO8
M.W.:
459.50
Type:
Small molecule
AlogP:
2.19
Polar Surface Area:
164.39
HBA:
7
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1773145 Name:
Platencin A11 Methyl Ester
Mol. Formula:
C25H31NO8
M.W.:
473.52
Type:
Small molecule
AlogP:
2.28
Polar Surface Area:
153.39
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1773144 Name:
platensimycin A6
Mol. Formula:
C24H29NO8
M.W.:
459.50
Type:
Small molecule
AlogP:
2.43
Polar Surface Area:
153.39
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1773143 Name:
platensimycin A6 methyl ester
Mol. Formula:
C25H31NO8
M.W.:
473.52
Type:
Small molecule
AlogP:
2.52
Polar Surface Area:
142.39
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1773142 Name:
platensimycin A5
Mol. Formula:
C24H29NO8
M.W.:
459.50
Type:
Small molecule
AlogP:
2.19
Polar Surface Area:
164.39
HBA:
7
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1773141 Name:
platensimycin A5 methyl ester
Mol. Formula:
C25H31NO8
M.W.:
473.52
Type:
Small molecule
AlogP:
2.28
Polar Surface Area:
153.39
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1773140 Name:
platensimycin A4
Mol. Formula:
C24H27NO8
M.W.:
457.48
Type:
Small molecule
AlogP:
2.21
Polar Surface Area:
153.39
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA1773139 Name:
platensimycin A4 methyl ester
Mol. Formula:
C25H29NO8
M.W.:
471.51
Type:
Small molecule
AlogP:
2.29
Polar Surface Area:
142.39
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA1773138 Name:
12beta-hydroxyplatensimycin
Mol. Formula:
C24H27NO8
M.W.:
457.48
Type:
Small molecule
AlogP:
2.35
Polar Surface Area:
153.39
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1773137 Name:
platensimycin A3 methyl ester
Mol. Formula:
C25H29NO8
M.W.:
471.51
Type:
Small molecule
AlogP:
2.44
Polar Surface Area:
142.39
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1773136 Name:
platensimycin A2
Mol. Formula:
C24H27NO8
M.W.:
457.48
Type:
Small molecule
AlogP:
2.20
Polar Surface Area:
153.39
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1773135 Name:
platensimycin A2 methyl ester
Mol. Formula:
C25H29NO8
M.W.:
471.51
Type:
Small molecule
AlogP:
2.29
Polar Surface Area:
142.39
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1773134 Name:
14-hydroxyplatensic acid methyl ester
Mol. Formula:
C18H24O5
M.W.:
320.39
Type:
Small molecule
AlogP:
1.63
Polar Surface Area:
72.83
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1773133 Name:
14-hydroxyplatensic acid
Mol. Formula:
C17H22O5
M.W.:
306.36
Type:
Small molecule
AlogP:
1.54
Polar Surface Area:
83.83
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA1773132 Name:
platensic acid methyl ester
Mol. Formula:
C18H24O4
M.W.:
304.39
Type:
Small molecule
AlogP:
2.66
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
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