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ALA4802105 Name:
(2R,3R)-3,5,7-Trihydroxy-2-[(2R,3S)-7-hydroxy-2-(4-hydroxy-3-methoxy-phenylShow More⌵
Mol. Formula:
C25H22O10
M.W.:
482.44
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
166.14
HBA:
10
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4762101 Name:
NA
Mol. Formula:
C175H266N50O56S6
M.W.:
4158.75
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4742779 Name:
NA
Mol. Formula:
C154H237N43O44S6
M.W.:
3587.25
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4588827 Name:
NA
Mol. Formula:
C72H106N18O18S2
M.W.:
1575.88
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4569923 Name:
NA
Mol. Formula:
C72H107N21O18S2
M.W.:
1618.91
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4563187 Name:
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2-amino-4-pyridyl)methyl]pyrrolShow More⌵
Mol. Formula:
C24H27F6N5O6
M.W.:
595.50
Type:
Unknown
AlogP:
0.84
Polar Surface Area:
114.34
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4551377 Name:
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2,6-diamino-4-pyridyl)methyl]pyShow More⌵
Mol. Formula:
C24H28F6N6O6
M.W.:
610.51
Type:
Unknown
AlogP:
0.42
Polar Surface Area:
140.36
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4531752 Name:
NA
Mol. Formula:
C69H106N16O18S2
M.W.:
1511.84
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4513436 Name:
(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(6-amino-3-pyridyl)methyl]pyrrolShow More⌵
Mol. Formula:
C24H27F6N5O6
M.W.:
595.50
Type:
Unknown
AlogP:
0.84
Polar Surface Area:
114.34
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4465587 Name:
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(4-pyridylmethyl)pyrrolidine-Show More⌵
Mol. Formula:
C30H30F6N4O6
M.W.:
656.58
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
88.32
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4447828 Name:
NA
Mol. Formula:
C67H104N18O18S2
M.W.:
1513.81
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4439523 Name:
NA
Mol. Formula:
C72H107N19O18S2
M.W.:
1590.90
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4217607 Name:
MCoTI-II
Mol. Formula:
C137H219N49O46S6
M.W.:
3480.96
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4217569 Name:
Cycloviolacin O1
Mol. Formula:
C131H203N35O41S6
M.W.:
3116.67
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4212172 Name:
Kalata B2
Mol. Formula:
C121H179N35O40S6
M.W.:
2956.37
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4211294 Name:
Kalata B1
Mol. Formula:
C117H179N35O39S6
M.W.:
2892.33
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4210529 Name:
Cycloviolacin O2
Mol. Formula:
C133H207N37O39S6
M.W.:
3140.74
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Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4094808 Name:
(S)-2-((S)-1-((S)-2-((S)-2-(2-((S)-1-((S)-1-((S)-2-((S)-6-amino-2-((6S,9S,1Show More⌵
Mol. Formula:
C88H143N23O22S2
M.W.:
1939.39
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3144127 Name:
N-(1-{1-[4-Guanidino-1-(4-nitro-phenylcarbamoyl)-butylcarbamoyl]-2-methyl-pShow More⌵
Mol. Formula:
C33H40N8O6
M.W.:
644.73
Type:
Small molecule
AlogP:
2.25
Polar Surface Area:
223.94
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA2373064 Name:
2-Acetylamino-4-methyl-pentanoic acid [1-(1-formyl-4-guanidino-butylcarbamoShow More⌵
Mol. Formula:
C23H36N6O5
M.W.:
476.58
Type:
Protein
AlogP:
-0.29
Polar Surface Area:
189.00
HBA:
6
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
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