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ALA5287969 Name:
1-(((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyldec
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Mol. Formula:
C33H52O11
M.W.:
624.77
Type:
---
AlogP:
4.80
Polar Surface Area:
112.53
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA1095375 Name:
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-2-carboxy
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Mol. Formula:
C16H16N4O3
M.W.:
312.33
Type:
Small molecule
AlogP:
1.71
Polar Surface Area:
77.74
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA1088249 Name:
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-2-carboxy
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Mol. Formula:
C18H22N4O
M.W.:
310.40
Type:
Small molecule
AlogP:
3.11
Polar Surface Area:
59.28
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA1088119 Name:
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-2-carboxy
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Mol. Formula:
C16H18N4O
M.W.:
282.35
Type:
Small molecule
AlogP:
2.29
Polar Surface Area:
59.28
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA1088644 Name:
5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-2-carboxy
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Mol. Formula:
C17H21N5O
M.W.:
311.39
Type:
Small molecule
AlogP:
2.05
Polar Surface Area:
62.52
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2299081 Name:
N-Benzyl-2-[(3-phenyl-2-oxo-2H-[1,2,4]triazino[2,3
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Mol. Formula:
C25H19N5O2S
M.W.:
453.53
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
89.25
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA2298880 Name:
N-(4-Methylbenzyl)-2-[(3-phenyl-2-oxo-2H-[1,2,4]tr
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Mol. Formula:
C26H21N5O2S
M.W.:
467.55
Type:
Small molecule
AlogP:
4.02
Polar Surface Area:
89.25
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4776690 Name:
Frugosidal
Mol. Formula:
C29H42O10
M.W.:
550.65
Type:
Unknown
AlogP:
0.61
Polar Surface Area:
162.98
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4525219 Name:
12'-episatratoxin H
Mol. Formula:
C29H36O9
M.W.:
528.60
Type:
Unknown
AlogP:
2.07
Polar Surface Area:
124.05
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4797949 Name:
Glucofrugoside
Mol. Formula:
C35H54O14
M.W.:
698.80
Type:
Unknown
AlogP:
-0.75
Polar Surface Area:
225.06
HBA:
14
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4786013 Name:
2-((2S,5R,8S,11S)-11-(3-guanidinopropyl)-5-(4-hydr
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Mol. Formula:
C32H45N9O9
M.W.:
699.77
Type:
Unknown
AlogP:
-2.56
Polar Surface Area:
294.03
HBA:
9
HBD:
11
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4781168 Name:
Frugoside
Mol. Formula:
C29H44O9
M.W.:
536.66
Type:
Unknown
AlogP:
1.43
Polar Surface Area:
145.91
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4540831 Name:
Trichoverritone
Mol. Formula:
C35H46O11
M.W.:
642.74
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
150.35
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4094198 Name:
2-(4-fluorophenylamino)-7,8-dihydropteridin-6(5H)-
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Mol. Formula:
C12H10FN5O
M.W.:
259.24
Type:
Small molecule
AlogP:
1.72
Polar Surface Area:
78.94
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4093586 Name:
8-methyl-2-(3,4,5-trimethoxyphenylamino)-7,8-dihyd
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Mol. Formula:
C16H19N5O4
M.W.:
345.36
Type:
Small molecule
AlogP:
1.63
Polar Surface Area:
97.84
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4089832 Name:
2-(4-methoxyphenylamino)-7,8-dihydropteridin-6(5H)
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Mol. Formula:
C13H13N5O2
M.W.:
271.28
Type:
Small molecule
AlogP:
1.59
Polar Surface Area:
88.17
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4524286 Name:
Satratoxin H
Mol. Formula:
C29H36O9
M.W.:
528.60
Type:
Unknown
AlogP:
2.07
Polar Surface Area:
124.05
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4089218 Name:
8-methyl-2-(phenethylamino)-7,8-dihydropteridin-6(
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Mol. Formula:
C15H17N5O
M.W.:
283.33
Type:
Small molecule
AlogP:
1.52
Polar Surface Area:
70.15
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4743046 Name:
Calotoxin
Mol. Formula:
C29H40O10
M.W.:
548.63
Type:
Unknown
AlogP:
0.97
Polar Surface Area:
151.98
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4082388 Name:
2-(4-chlorophenylamino)-8-methyl-7,8-dihydropterid
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Mol. Formula:
C13H12ClN5O
M.W.:
289.73
Type:
Small molecule
AlogP:
2.26
Polar Surface Area:
70.15
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
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