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ALA4878878 Name:
7-bromo-1,2,3,4-tetrahydroacridin-9-amine hydrochl
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Mol. Formula:
C13H14BrClN2
M.W.:
313.63
Type:
Unknown
AlogP:
3.46
Polar Surface Area:
38.91
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4878546 Name:
8-chloro-1H,2H,3H-cyclopenta[b]quinolin-9-amine hy
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Mol. Formula:
C12H12Cl2N2
M.W.:
255.15
Type:
Unknown
AlogP:
2.96
Polar Surface Area:
38.91
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.74
DETAILS
CLOSE
ALA4878434 Name:
NA
Mol. Formula:
C35H44Cl3N5O
M.W.:
657.13
Type:
Unknown
AlogP:
7.41
Polar Surface Area:
95.83
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4877556 Name:
2-acetamido-N-(3-((1-benzylpiperidin-4-yl)methoxy)
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Mol. Formula:
C27H30N4O3
M.W.:
458.56
Type:
Unknown
AlogP:
4.58
Polar Surface Area:
83.56
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4877175 Name:
N-(5-((1-benzylpiperidin-4-yl)methoxy)pyridin-3-yl
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Mol. Formula:
C26H27N5O2
M.W.:
441.54
Type:
Unknown
AlogP:
4.50
Polar Surface Area:
83.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4876686 Name:
7-chloro-1,2,3,4-tetrahydroacridin-9-amine hydroch
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Mol. Formula:
C13H14Cl2N2
M.W.:
269.17
Type:
Unknown
AlogP:
3.35
Polar Surface Area:
38.91
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4876437 Name:
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(4-(4-methylbe
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Mol. Formula:
C22H26N2O3
M.W.:
366.46
Type:
Unknown
AlogP:
3.07
Polar Surface Area:
53.01
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4876362 Name:
7-methyl-1,2,3,4-tetrahydroacridin-9-amine hydroch
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Mol. Formula:
C14H17ClN2
M.W.:
248.76
Type:
Unknown
AlogP:
3.00
Polar Surface Area:
38.91
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4875944 Name:
S-4-methoxybenzyl 4-methylbenzenthiosulfonate
Mol. Formula:
C15H16O3S2
M.W.:
308.42
Type:
Unknown
AlogP:
3.63
Polar Surface Area:
43.37
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4875903 Name:
2-acetamido-N-(5-((1-(4-fluorobenzyl)piperidin-4-y
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Mol. Formula:
C26H28FN5O3
M.W.:
477.54
Type:
Unknown
AlogP:
4.12
Polar Surface Area:
96.45
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4874599 Name:
2-methoxy-6H,7H,8H,9H,10H-cyclohepta[b]quinolin-11
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Mol. Formula:
C15H19ClN2O
M.W.:
278.78
Type:
Unknown
AlogP:
3.09
Polar Surface Area:
48.14
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4874576 Name:
7-methyl-1H,2H,3H-cyclopenta[b]quinolin-9-amine hy
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Mol. Formula:
C13H15ClN2
M.W.:
234.73
Type:
Unknown
AlogP:
2.61
Polar Surface Area:
38.91
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.71
DETAILS
CLOSE
ALA4874244 Name:
NA
Mol. Formula:
C33H40Cl3N5O
M.W.:
629.08
Type:
Unknown
AlogP:
6.63
Polar Surface Area:
95.83
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4873612 Name:
2-(cyclopropanecarboxamido)-N-(5-((1-(4-fluorobenz
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Mol. Formula:
C28H30FN5O3
M.W.:
503.58
Type:
Unknown
AlogP:
4.51
Polar Surface Area:
96.45
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4873501 Name:
8-methyl-1,2,3,4-tetrahydroacridin-9-amine hydroch
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Mol. Formula:
C14H17ClN2
M.W.:
248.76
Type:
Unknown
AlogP:
3.00
Polar Surface Area:
38.91
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4873165 Name:
(E)-1-(4-(3-fluorobenzyl)piperazin-1-yl)-3-(4-hydr
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Mol. Formula:
C21H23FN2O3
M.W.:
370.42
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
53.01
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4873162 Name:
N-((1-benzylpiperidin-4-yl)methyl)-5-(pyridin-3-yl
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Mol. Formula:
C26H27N5O
M.W.:
425.54
Type:
Unknown
AlogP:
4.27
Polar Surface Area:
73.91
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4872815 Name:
2,4-dichloro-6H,7H,8H,9H,10H-cyclohepta[b]quinolin
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Mol. Formula:
C14H15Cl3N2
M.W.:
317.65
Type:
Unknown
AlogP:
4.39
Polar Surface Area:
38.91
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4872783 Name:
7-methoxy-1,2,3,4-tetrahydroacridin-9-amine hydroc
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Mol. Formula:
C14H17ClN2O
M.W.:
264.76
Type:
Unknown
AlogP:
2.70
Polar Surface Area:
48.14
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.82
DETAILS
CLOSE
ALA4872690 Name:
5-(2-(Cyclopropanecarboxamido)isonicotinamido)-N-(
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Mol. Formula:
C30H34N6O3
M.W.:
526.64
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
116.32
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
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