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ALA4097421 Name:
3-[3-(8-quinolinyloxy)propoxy]-2,6-difluorobenzami
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Mol. Formula:
C19H16F2N2O3
M.W.:
358.34
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
74.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4104199 Name:
3-(1-naphthoxy)propoxy-2,6-difluorobenzamide
Mol. Formula:
C20H17F2NO3
M.W.:
357.36
Type:
Small molecule
AlogP:
4.06
Polar Surface Area:
61.55
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4091815 Name:
3-((5-chlorobenzo[d]thiazol-2-yl)methoxy)-2,6-difl
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Mol. Formula:
C14H9ClF2N2O3S2
M.W.:
390.82
Type:
Small molecule
AlogP:
3.45
Polar Surface Area:
82.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4086284 Name:
3-(2-naphthoxy)propoxy-2,6-difluorobenzamide
Mol. Formula:
C20H17F2NO3
M.W.:
357.36
Type:
Small molecule
AlogP:
4.06
Polar Surface Area:
61.55
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4089694 Name:
3-(2-benzoyloxy)ethoxy-2,6-difluorobenzamide
Mol. Formula:
C16H13F2NO3
M.W.:
305.28
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
69.39
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4070966 Name:
3-((6-chlorothiazolo[5,4-b]pyridin-2-yl)methoxy)-2
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Mol. Formula:
C13H8ClF2N3O3S2
M.W.:
391.81
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
95.17
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4068568 Name:
3-(3-benzoyloxy)propoxy-2,6-difluorobenzamide
Mol. Formula:
C17H15F2NO3
M.W.:
319.31
Type:
Small molecule
AlogP:
3.11
Polar Surface Area:
69.39
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4079385 Name:
3-{3-[(2-methyl-8-quinolinyl)oxy]propoxy}-2,6-difl
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Mol. Formula:
C20H18F2N2O3
M.W.:
372.37
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
74.44
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA3098790 Name:
rac-3-(1-(5-bromo-4-(4-chlorophenyl)oxazol-2-yl)pr
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Mol. Formula:
C19H14BrClF2N2O3
M.W.:
471.69
Type:
Small molecule
AlogP:
5.66
Polar Surface Area:
78.35
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3098684 Name:
rac-3-(1-(5-bromo-4-(4-(trifluoromethyl)phenyl)oxa
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Mol. Formula:
C22H14BrF5N4O4
M.W.:
573.27
Type:
Small molecule
AlogP:
5.55
Polar Surface Area:
117.27
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA3098679 Name:
rac-3-(1-(5-bromo-4-(4-(trifluoromethyl)phenyl)oxa
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Mol. Formula:
C22H19BrF5N3O3
M.W.:
548.31
Type:
Small molecule
AlogP:
5.57
Polar Surface Area:
81.59
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA3098678 Name:
rac-3-(1-(5-bromo-4-(4-(trifluoromethyl)phenyl)oxa
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Mol. Formula:
C20H14BrF5N2O4
M.W.:
521.24
Type:
Small molecule
AlogP:
5.00
Polar Surface Area:
98.58
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3098677 Name:
rac-3-((5-bromo-4-(4-chlorophenyl)oxazol-2-yl)(pyr
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Mol. Formula:
C22H13BrClF2N3O3
M.W.:
520.72
Type:
Small molecule
AlogP:
5.70
Polar Surface Area:
91.24
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA3098676 Name:
rac-3-(1-(5-bromo-4-(4-chlorophenyl)oxazol-2-yl)-2
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Mol. Formula:
C18H12BrClF2N2O4
M.W.:
473.66
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
98.58
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2418096 Name:
hemi-chrysophaentin
Mol. Formula:
C18H18Cl2O4
M.W.:
369.24
Type:
Small molecule
AlogP:
4.68
Polar Surface Area:
58.92
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA2418095 Name:
chrysophaentin A
Mol. Formula:
C32H24Cl4O8
M.W.:
678.35
Type:
Small molecule
AlogP:
8.94
Polar Surface Area:
139.84
HBA:
8
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA2413358 Name:
1-((8-(4-tert-butylphenyl)-1,5-naphthyridin-4-yl)m
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Mol. Formula:
C20H23N5
M.W.:
333.44
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
87.68
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2413357 Name:
4-(Aminomethyl)-8-(4-tert-butylphenyl)-1,5-naphthy
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Mol. Formula:
C19H21N3
M.W.:
291.40
Type:
Small molecule
AlogP:
4.05
Polar Surface Area:
51.80
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA2413356 Name:
8-(4-tert-Butylphenyl)-4-(guanidinomethyl)quinazol
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Mol. Formula:
C20H23N5
M.W.:
333.44
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
87.68
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2413355 Name:
N-((4-(4-(tert-butyl)phenyl)quinazolin-8-yl)methyl
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Mol. Formula:
C21H24N4
M.W.:
332.45
Type:
Small molecule
AlogP:
4.68
Polar Surface Area:
61.66
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
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