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ALA4790764 Name:
NA
Mol. Formula:
C69H80F2N14O11S2
M.W.:
1383.62
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4761415 Name:
NA
Mol. Formula:
C69H81F3N14O12S2
M.W.:
1419.62
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4760531 Name:
NA
Mol. Formula:
C69H85F2N13O12S2
M.W.:
1390.65
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4750201 Name:
NA
Mol. Formula:
C67H84FN11O12S2
M.W.:
1318.61
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4646937 Name:
Purealidin-N
Mol. Formula:
C15H16Br2N4O4
M.W.:
476.13
Type:
Unknown
AlogP:
2.38
Polar Surface Area:
119.83
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4645637 Name:
Desaminopurealin
Mol. Formula:
C27H28Br4N6O7
M.W.:
868.17
Type:
Unknown
AlogP:
3.97
Polar Surface Area:
179.75
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4644758 Name:
methyl (5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,Show More⌵
Mol. Formula:
C11H11Br2NO5
M.W.:
397.02
Type:
Unknown
AlogP:
1.58
Polar Surface Area:
77.35
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4643972 Name:
Aerophobin-2
Mol. Formula:
C16H19Br2N5O4
M.W.:
505.17
Type:
Unknown
AlogP:
1.46
Polar Surface Area:
134.85
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4641805 Name:
(-)-aeroplysinin-1
Mol. Formula:
C8H7Br2NO3
M.W.:
324.96
Type:
Unknown
AlogP:
1.15
Polar Surface Area:
73.48
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4641518 Name:
Purealin
Mol. Formula:
C27H29Br4ClN6O7
M.W.:
904.63
Type:
Unknown
AlogP:
3.97
Polar Surface Area:
179.75
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4641242 Name:
Lacunosin B
Mol. Formula:
C14H16Br2N2O7
M.W.:
484.10
Type:
Unknown
AlogP:
0.06
Polar Surface Area:
126.68
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4640724 Name:
(+)-aeroplysinin-1
Mol. Formula:
C8H7Br2NO3
M.W.:
324.96
Type:
Unknown
AlogP:
1.15
Polar Surface Area:
73.48
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4636858 Name:
Lacunosin A
Mol. Formula:
C13H14Br2N2O6
M.W.:
454.07
Type:
Unknown
AlogP:
0.70
Polar Surface Area:
106.45
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4446943 Name:
(R)-2-amino-N-((S)-1-(4-fluorobenzylamino)-1-oxo-3-phenylpropan-2-yl)-4-metShow More⌵
Mol. Formula:
C22H28FN3O2
M.W.:
385.48
Type:
Unknown
AlogP:
2.54
Polar Surface Area:
84.22
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4212843 Name:
Dinghupeptin B
Mol. Formula:
C49H67N9O14
M.W.:
1006.12
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA564524 Name:
Aerophobin-1
Mol. Formula:
C15H16Br2N4O4
M.W.:
476.13
Type:
Small molecule
AlogP:
1.49
Polar Surface Area:
108.83
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA505870 Name:
(S)-2-((S)-1-((S)-2-((6S,9S,12S,15S,18R,23R,26S,28aS,33aS)-18-((S)-2-(2-amiShow More⌵
Mol. Formula:
C70H102N18O21S2
M.W.:
1595.83
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA526892 Name:
(S)-2-((S)-1-((S)-2-((6S,9S,12S,15S,18R,23R,26S,28aS,33aS)-18-((S)-2-(2-amiShow More⌵
Mol. Formula:
C69H102N18O19S2
M.W.:
1551.82
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA499386 Name:
(S)-2-((S)-1-((S)-2-((6S,9S,12S,15S,18R,23R,26S,28aS,33aS)-18-((S)-2-(2-amiShow More⌵
Mol. Formula:
C70H103N17O20S2
M.W.:
1566.83
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA453451 Name:
(S)-2-((S)-1-((S)-2-((6S,9S,12S,15S,18R,23R,26S,28aS,33aS)-18-((S)-2-(2-amiShow More⌵
Mol. Formula:
C71H104N18O21S2
M.W.:
1609.85
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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