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ALA4063381 Name:
(S)-4-benzyl-1-(4-((S)-2-(3-fluorobenzyl)-4,5-dihy
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Mol. Formula:
C32H37FN4S
M.W.:
528.74
Type:
Small molecule
AlogP:
5.67
Polar Surface Area:
30.87
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4850611 Name:
NA
Mol. Formula:
C39H56N2O9S
M.W.:
728.95
Type:
Unknown
AlogP:
4.48
Polar Surface Area:
152.79
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3586250 Name:
2-(5-Butyl-5-methyl-5H-dibenzosilol-2-yl)-1,1,1,3,
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Mol. Formula:
C20H20F6OSi
M.W.:
418.45
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3586248 Name:
2-(5,5-Dimetyl-5H-dibenzosilol-2-yl)-1,1,1,3,3,3-h
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Mol. Formula:
C17H14F6OSi
M.W.:
376.37
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3586247 Name:
2-(5,5-Dibutyl-5H-dibenzosilol-2-yl)-1,1,1,3,3,3-h
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Mol. Formula:
C23H26F6OSi
M.W.:
460.53
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3259998 Name:
5-Butyl-2-dodecylphenanthridin-6(5H)-one
Mol. Formula:
C29H41NO
M.W.:
419.65
Type:
Small molecule
AlogP:
8.42
Polar Surface Area:
22.00
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA3259997 Name:
5-Butyl-2-hexylphenanthridin-6(5H)-one
Mol. Formula:
C23H29NO
M.W.:
335.49
Type:
Small molecule
AlogP:
6.08
Polar Surface Area:
22.00
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3259994 Name:
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phe
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Mol. Formula:
C16H9F6NO2
M.W.:
361.24
Type:
Small molecule
AlogP:
3.99
Polar Surface Area:
53.09
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
66.40
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2385917 Name:
rac-Benzyl 4-(4-(benzyloxy)-3-methoxyphenyl)-6-met
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Mol. Formula:
C27H26N2O5
M.W.:
458.51
Type:
Small molecule
AlogP:
4.65
Polar Surface Area:
85.89
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2385916 Name:
rac-phenethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-6-
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Mol. Formula:
C28H28N2O5
M.W.:
472.54
Type:
Small molecule
AlogP:
4.69
Polar Surface Area:
85.89
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA2385915 Name:
rac-Ethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-6-ethy
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Mol. Formula:
C23H26N2O5
M.W.:
410.47
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
85.89
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2385914 Name:
rac-Ethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-3,6-di
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Mol. Formula:
C23H26N2O5
M.W.:
410.47
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
77.10
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2385913 Name:
rac-Ethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-1,6-di
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Mol. Formula:
C23H26N2O5
M.W.:
410.47
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
77.10
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2385912 Name:
rac-5-Acetyl-4-(4-(2-chlorobenzyloxy)-3-methoxyphe
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Mol. Formula:
C21H21ClN2O4
M.W.:
400.86
Type:
Small molecule
AlogP:
4.14
Polar Surface Area:
76.66
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2385911 Name:
rac-5-Acetyl-4-(4-(benzyloxy)-3-methoxyphenyl)-6-m
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Mol. Formula:
C21H22N2O4
M.W.:
366.42
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
76.66
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA2385910 Name:
rac-Ethyl 4-(4-(3-phenylpropoxy)-3-methoxyphenyl)-
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Mol. Formula:
C24H28N2O5
M.W.:
424.50
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
85.89
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA2385909 Name:
rac-ethyl 4-(3-methoxy-4-phenethoxyphenyl)-6-methy
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Mol. Formula:
C23H26N2O5
M.W.:
410.47
Type:
Small molecule
AlogP:
3.51
Polar Surface Area:
85.89
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA2385908 Name:
rac-Ethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-6-meth
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Mol. Formula:
C22H24N2O5
M.W.:
396.44
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
85.89
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2385748 Name:
rac-ethyl 4-(2-chloro-4-(2-chlorobenzyloxy)-5-meth
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Mol. Formula:
C22H22Cl2N2O5
M.W.:
465.33
Type:
Small molecule
AlogP:
4.77
Polar Surface Area:
85.89
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
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