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ALA5287121 Name:
7a-Aza-3alpha,12alpha-dihydroxy-7a-homotetrazolo[5
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Mol. Formula:
C24H38N4O4
M.W.:
446.59
Type:
---
AlogP:
2.85
Polar Surface Area:
121.36
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5285226 Name:
Ethyl 3alpha-acetoxy-7a-aza-7a-homotetrazolo[5',1'
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Mol. Formula:
C28H44N4O4
M.W.:
500.68
Type:
---
AlogP:
4.93
Polar Surface Area:
96.20
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5280000 Name:
12a-Aza-3alpha-hydroxy-12a-homotetrazolo[5',1':12,
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Mol. Formula:
C24H36N4O3
M.W.:
428.58
Type:
---
AlogP:
3.89
Polar Surface Area:
101.13
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5279583 Name:
Methyl 7a-aza-3alpha,12alpha-diacetoxy-7a-homotetr
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Mol. Formula:
C29H44N4O6
M.W.:
544.69
Type:
---
AlogP:
4.08
Polar Surface Area:
122.50
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5279391 Name:
12a-Aza-3alpha-hydroxy-12a-homotetrazolo[5',1':12,
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Mol. Formula:
C24H38N4O3
M.W.:
430.59
Type:
---
AlogP:
3.67
Polar Surface Area:
101.13
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5278553 Name:
12a-Aza-3alpha,7alpha-dihydroxy-12a-homotetrazolo[
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Mol. Formula:
C24H36N4O4
M.W.:
444.58
Type:
---
AlogP:
2.86
Polar Surface Area:
121.36
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5278494 Name:
7a-Aza-3alpha-hydroxy-7a-homotetrazolo[5',1':7,7a]
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Mol. Formula:
C24H38N4O3
M.W.:
430.59
Type:
---
AlogP:
3.88
Polar Surface Area:
101.13
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4547925 Name:
(E)-3-(3'-(Hydroxymethyl)-5-(phenethylcarbamoyl)-[
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Mol. Formula:
C25H23NO4
M.W.:
401.46
Type:
Unknown
AlogP:
3.92
Polar Surface Area:
86.63
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4551048 Name:
2-(6-(Methylthio)naphthalen-2-yl)propanoic Acid
Mol. Formula:
C14H14O2S
M.W.:
246.33
Type:
Unknown
AlogP:
3.75
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4551043 Name:
(E)-3-(3'-(Hydroxymethyl)-5-(3-phenylpropanamido)-
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Mol. Formula:
C25H23NO4
M.W.:
401.46
Type:
Unknown
AlogP:
4.52
Polar Surface Area:
86.63
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5272052 Name:
12a-Aza-3alpha,7alpha-dihydroxy-12a-homotetrazolo[
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Mol. Formula:
C24H38N4O4
M.W.:
446.59
Type:
---
AlogP:
2.64
Polar Surface Area:
121.36
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5206583 Name:
4-Hydroxy-N-(4'-hydroxy-[1,1'-biphenyl]-3-yl)-1-(4
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Mol. Formula:
C23H20N4O4
M.W.:
416.44
Type:
---
AlogP:
3.67
Polar Surface Area:
109.50
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5204156 Name:
4-Hydroxy-N-(3'-hydroxy-[1,1'-biphenyl]-3-yl)-1-(4
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Mol. Formula:
C23H20N4O4
M.W.:
416.44
Type:
---
AlogP:
3.67
Polar Surface Area:
109.50
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5194388 Name:
N-([1,1'-biphenyl]-3-yl)-4-hydroxy-1-(4-methoxyben
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Mol. Formula:
C23H20N4O3
M.W.:
400.44
Type:
---
AlogP:
3.96
Polar Surface Area:
89.27
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5191752 Name:
N-(3,5-bis(trifluoromethyl)phenyl)-4-hydroxy-1-(4-
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Mol. Formula:
C19H14F6N4O3
M.W.:
460.33
Type:
---
AlogP:
4.33
Polar Surface Area:
89.27
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5187723 Name:
N-([1,1'-biphenyl]-4-yl)-4-hydroxy-1-(4-methoxyben
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Mol. Formula:
C23H20N4O3
M.W.:
400.44
Type:
---
AlogP:
3.96
Polar Surface Area:
89.27
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5183881 Name:
4-Hydroxy-1-(4-methoxybenzyl)-N-(1-phenyl-1H-benzo
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Mol. Formula:
C24H20N6O3
M.W.:
440.46
Type:
---
AlogP:
3.63
Polar Surface Area:
107.09
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5175151 Name:
4-Hydroxy-1-(4-methoxybenzyl)-N-(4-phenoxyphenyl)-
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Mol. Formula:
C23H20N4O4
M.W.:
416.44
Type:
---
AlogP:
4.09
Polar Surface Area:
98.50
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5174744 Name:
N-([1,1'-biphenyl]-3-yl)-3-hydroxy-5-(4-methoxyben
Show More⌵
Mol. Formula:
C24H20N2O4
M.W.:
400.43
Type:
---
AlogP:
4.90
Polar Surface Area:
84.59
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5172658 Name:
4-Hydroxy-1-(4-methoxybenzyl)-N-(3-phenoxyphenyl)-
Show More⌵
Mol. Formula:
C23H20N4O4
M.W.:
416.44
Type:
---
AlogP:
4.09
Polar Surface Area:
98.50
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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