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ALA5193615 Name:
Mol. Formula:
C19H14O12
M.W.:
434.31
Type:
---
AlogP:
-0.58
Polar Surface Area:
200.26
HBA:
12
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4216867 Name:
6,16-O-dideacetylhelvolic acid 21,16-lactone
Mol. Formula:
C29H38O5
M.W.:
466.62
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
80.67
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4203899 Name:
24-epi-6beta,16beta-diacetoxy-25-hydroxy-3,7-dioxo
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Mol. Formula:
C33H44O9
M.W.:
584.71
Type:
Small molecule
AlogP:
4.05
Polar Surface Area:
133.27
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4203195 Name:
16-O-propionyl-16-O-deacetylhelvolic acid
Mol. Formula:
C34H46O8
M.W.:
582.73
Type:
Small molecule
AlogP:
5.79
Polar Surface Area:
124.04
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4299442 Name:
amylolysin
Mol. Formula:
C140H206N42O41S5
M.W.:
3293.78
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4101527 Name:
1-(2-(1-(3,5-di-tert-butylbenzyl)-1H-1,2,3-triazol
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Mol. Formula:
C20H33ClN6
M.W.:
392.98
Type:
Small molecule
AlogP:
2.95
Polar Surface Area:
92.61
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4093806 Name:
3-(1-(3,5-di-tert-butylbenzyl)-1H-1,2,3-triazol-4-
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Mol. Formula:
C22H37ClN4
M.W.:
393.02
Type:
Small molecule
AlogP:
4.42
Polar Surface Area:
33.95
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4092842 Name:
1-(3-(1-(3,5-di-tert-butylbenzyl)-1H-1,2,3-triazol
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Mol. Formula:
C21H35ClN6
M.W.:
407.01
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
92.61
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4087739 Name:
2-(1-(3,5-di-tert-butylbenzyl)-1H-1,2,3-triazol-4-
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Mol. Formula:
C19H31ClN4
M.W.:
350.94
Type:
Small molecule
AlogP:
3.42
Polar Surface Area:
56.73
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA1923658 Name:
Hexadecyl Uridin-5'-yl 2-([3R,4R]-3,4-Dihydroxypyr
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Mol. Formula:
C31H56N3O10P
M.W.:
661.77
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
183.78
HBA:
12
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA1255992 Name:
3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
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Mol. Formula:
C60H86I2N12O12
M.W.:
1421.23
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1255991 Name:
3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
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Mol. Formula:
C60H86F2N12O12
M.W.:
1205.42
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1255990 Name:
3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
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Mol. Formula:
C56H84N12O12S2
M.W.:
1181.49
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1255989 Name:
3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
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Mol. Formula:
C58H84N12O12
M.W.:
1141.38
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1255988 Name:
3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
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Mol. Formula:
C64H90N14O12
M.W.:
1247.51
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1255987 Name:
3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
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Mol. Formula:
C60H88N12O14
M.W.:
1201.43
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1255986 Name:
3-[(3S,6S,9S,12S,15S,21S,24S,27S,30S,33S)-3,21-dib
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Mol. Formula:
C60H88N12O12
M.W.:
1169.44
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1255985 Name:
3-[(3S,6S,9S,12S,15S,21S,24S,27S,30S,33S)-3,21-dib
Show More⌵
Mol. Formula:
C60H88N12O12
M.W.:
1169.44
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1255984 Name:
3-[(3S,6S,9S,12S,15S,21S,24S,27S,30S,33S)-3,21-dib
Show More⌵
Mol. Formula:
C60H88N12O12
M.W.:
1169.44
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1255983 Name:
3-[(3S,6S,9S,12S,15S,21S,24S,27S,30S,33S)-3,21-dib
Show More⌵
Mol. Formula:
C61H90N12O12
M.W.:
1183.46
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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