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ALA4876985 Name:
Phorbol-13,20-dibutyrate
Mol. Formula:
C28H40O8
M.W.:
504.62
Type:
Unknown
AlogP:
2.63
Polar Surface Area:
130.36
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4872676 Name:
20-deoxyphorbol-5beta-hydroxy-12-tiglate-13-phenyl
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Mol. Formula:
C32H38O8
M.W.:
550.65
Type:
Unknown
AlogP:
3.31
Polar Surface Area:
130.36
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA1078340 Name:
5-((3-(benzo[d]thiazol-2-yl)phenylamino)methylene)
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Mol. Formula:
C20H16N2O4S
M.W.:
380.43
Type:
Small molecule
AlogP:
4.10
Polar Surface Area:
77.52
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1160379 Name:
(T(m2dG)GGAG)
Mol. Formula:
C83H99N27O40P6
M.W.:
2300.70
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1160378 Name:
(TGGGA(m2dG))
Mol. Formula:
C83H99N27O40P6
M.W.:
2300.70
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1160377 Name:
(TGG(m2dG)AG)
Mol. Formula:
C83H99N27O40P6
M.W.:
2300.70
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1160376 Name:
(TG(m2dG)GAG)
Mol. Formula:
C83H99N27O40P6
M.W.:
2300.70
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1160371 Name:
TGGG
Mol. Formula:
C60H67N17O28P4
M.W.:
1598.18
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1160370 Name:
((m2dG)3
Mol. Formula:
C63H73N17O28P4
M.W.:
1640.26
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1160368 Name:
T(m2dG)3AG
Mol. Formula:
C85H103N27O40P6
M.W.:
2328.75
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1159415 Name:
2-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-He
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Mol. Formula:
C39H61F17N2O7
M.W.:
992.89
Type:
Small molecule
AlogP:
9.32
Polar Surface Area:
140.51
HBA:
8
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
34
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4790357 Name:
2-(tert-Butoxy)-2-(2',3,3'',4,4'',5'-hexamethyl-6'
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Mol. Formula:
C33H41NO4
M.W.:
515.69
Type:
Unknown
AlogP:
8.16
Polar Surface Area:
75.63
HBA:
3
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4789654 Name:
2-(tert-Butoxy)-2-(2',3,3'',4,4'',5'-hexamethyl-6'
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Mol. Formula:
C31H39NO5S
M.W.:
537.72
Type:
Unknown
AlogP:
7.18
Polar Surface Area:
92.70
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA3735809 Name:
5-chloro-1-Methyl-3-(thiophen-2-yl)pyrido[2,3-g]qu
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Mol. Formula:
C16H10ClN3OS
M.W.:
327.80
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
47.78
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3734995 Name:
5-chloro-3-Isopropyl-1-methylpyrido[2,3-g]quinoxal
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Mol. Formula:
C15H14ClN3O
M.W.:
287.75
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
47.78
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3736323 Name:
3-benzyl-5-chloro-2-methoxypyrido[2,3-g]quinoxalin
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Mol. Formula:
C19H14ClN3O
M.W.:
335.79
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
47.90
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA3735070 Name:
5-chloro-2-methoxy-3-(thiophen-2-yl)pyrido[2,3-g]q
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Mol. Formula:
C16H10ClN3OS
M.W.:
327.80
Type:
Small molecule
AlogP:
4.57
Polar Surface Area:
47.90
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3735060 Name:
5-chloro-3-isopropyl-2-methoxypyrido[2,3-g]quinoxa
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Mol. Formula:
C15H14ClN3O
M.W.:
287.75
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
47.90
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3735807 Name:
5,6-dichloro-1-(4-methoxybenzyl)-1H-benzo[d][1,2,3
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Mol. Formula:
C14H11Cl2N3O
M.W.:
308.17
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
39.94
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3734762 Name:
5,6-dichloro-2-(4-methoxybenzyl)benzotriazole
Mol. Formula:
C14H11Cl2N3O
M.W.:
308.17
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
39.94
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
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