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ALA5191392 Name:
7-benzyl-3-(3-bromo-4-fluorobenzyl)-2,3,6,7,8,9-he
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Mol. Formula:
C23H22BrFN4O
M.W.:
469.36
Type:
---
AlogP:
3.72
Polar Surface Area:
41.37
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
Type:
Small molecule
AlogP:
2.27
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA3527525 Name:
3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl
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Cas Number:
960058-94-0
Mol. Formula:
C21H23N3O
M.W.:
333.44
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
70.91
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3526537 Name:
7-hydroxy efavirenz
Cas Number:
252343-24-1
Mol. Formula:
C14H9ClF3NO3
M.W.:
331.68
Type:
Small molecule
AlogP:
3.78
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA3526396 Name:
3-(4-(((3aR,8aS)-3a-hydroxy-8a-methyl-3,3a,8,8a-te
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Mol. Formula:
C21H23N3O2
M.W.:
349.43
Type:
Small molecule
AlogP:
2.42
Polar Surface Area:
78.59
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA3526395 Name:
N-hydroxy-3-(4-(((3aR,8aS)-3a-hydroxy-8a-methyl-3,
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Mol. Formula:
C21H23N3O3
M.W.:
365.43
Type:
Small molecule
AlogP:
2.44
Polar Surface Area:
84.83
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA3526247 Name:
5-(2-chlorobenzyl)-6,7-dihydrothieno[3,2-c]pyridin
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Cas Number:
801319-16-4
Mol. Formula:
C14H13ClNS+
M.W.:
262.79
Type:
Small molecule
AlogP:
3.59
Polar Surface Area:
3.01
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA2347918 Name:
5-Hydroxy-2'H,4H-[2,6'-bichromen]-4-one
Mol. Formula:
C18H12O4
M.W.:
292.29
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
59.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA2347917 Name:
5-Hydroxy-2-(4-(propargyloxy)phenyl)-4H-chromen-4-
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Mol. Formula:
C18H12O4
M.W.:
292.29
Type:
Small molecule
AlogP:
3.18
Polar Surface Area:
59.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2347916 Name:
5-Hydroxy-2'H,4H-[2,7'-bichromen]-4-one
Mol. Formula:
C18H12O4
M.W.:
292.29
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
59.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA2347915 Name:
5-Hydroxy-2'H,4H-[2,5'-bichromen]-4-one
Mol. Formula:
C18H12O4
M.W.:
292.29
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
59.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.18
Polar Surface Area:
59.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2347913 Name:
5-Hydroxy-2-phenylpyrano[3,2-g]chromen-4(8H)-one
Mol. Formula:
C18H12O4
M.W.:
292.29
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
59.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA2347912 Name:
5-Hydroxy-2-phenylpyrano[2,3-f]chromen-4(8H)-one
Mol. Formula:
C18H12O4
M.W.:
292.29
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
59.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA2347911 Name:
5-Hydroxy-2-phenyl-7-(propargyloxy)-4H-chromen-4-o
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Mol. Formula:
C18H12O4
M.W.:
292.29
Type:
Small molecule
AlogP:
3.18
Polar Surface Area:
59.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2347759 Name:
2'H,4H-[2,6'-Bichromen]-4-one
Mol. Formula:
C18H12O3
M.W.:
276.29
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
39.44
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2347758 Name:
2'H,4H-[2,5'-Bichromen]-4-one
Mol. Formula:
C18H12O3
M.W.:
276.29
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
39.44
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
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