Compounds

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ALA5270050
Name:
Nikkoxin D
Mol. Formula:
C22H30N6O13
M.W.:
586.51

Type:
---
AlogP:
-5.52
Polar Surface Area:
310.06
HBA:
14
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5269571
Name:
Polyoxins A
Mol. Formula:
C16H23N5O11
M.W.:
461.38

Type:
---
AlogP:
-4.65
Polar Surface Area:
269.52
HBA:
12
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5282420
Name:
Nikkoxin C
Mol. Formula:
C21H30N6O15
M.W.:
606.50

Type:
---
AlogP:
-6.78
Polar Surface Area:
356.15
HBA:
15
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA5278566
Name:
Polyoxin B
Mol. Formula:
C24H38N6O9
M.W.:
554.60

Type:
---
AlogP:
-2.25
Polar Surface Area:
220.20
HBA:
14
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5277827
Name:
Nikkomycin Pz
Mol. Formula:
C23H32N6O14
M.W.:
616.54

Type:
---
AlogP:
-6.48
Polar Surface Area:
330.29
HBA:
15
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5288511
Name:
Nikkoxin B
Mol. Formula:
C21H30N6O15
M.W.:
606.50

Type:
---
AlogP:
-6.33
Polar Surface Area:
356.15
HBA:
15
HBD:
11
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA612145
Name:
Nikkomycin X
Mol. Formula:
C20H25N5O10
M.W.:
495.45

Type:
Small molecule
AlogP:
-2.61
Polar Surface Area:
250.58
HBA:
13
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE