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ALA4476418 Name:
2,4-diethoxy-5-methyluracil
Cas Number:
7193-87-5
Mol. Formula:
C9H14N2O2
M.W.:
182.22
Type:
Unknown
AlogP:
1.58
Polar Surface Area:
44.24
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4475771 Name:
1-Benzyl-4-ethoxy-5-methylpyrimidin-2(1H)-one
Mol. Formula:
C14H16N2O2
M.W.:
244.29
Type:
Unknown
AlogP:
2.00
Polar Surface Area:
44.12
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4475711 Name:
1-Benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2(
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Mol. Formula:
C17H21N3O
M.W.:
283.38
Type:
Unknown
AlogP:
2.95
Polar Surface Area:
46.92
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA4474247 Name:
1-Benzyl-4-((3-(dimethylamino)propyl)amino)-5-meth
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Mol. Formula:
C17H24N4O
M.W.:
300.41
Type:
Unknown
AlogP:
1.96
Polar Surface Area:
50.16
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4521299 Name:
(S)-2-acetamido-N-((S)-1-((S)-1-amino-1-oxopropan-
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Cas Number:
132766-05-3
Mol. Formula:
C19H28N4O4
M.W.:
376.46
Type:
Unknown
AlogP:
-0.14
Polar Surface Area:
130.39
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4530826 Name:
1-benzyl-5-methyl-4-(n-octylamino)pyrimidin-2(1H)-
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Mol. Formula:
C20H29N3O
M.W.:
327.47
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
46.92
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4557561 Name:
(4S,7S,10S,13S)-7-Benzyl-13-carbamoyl-4-isopropyl-
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Mol. Formula:
C24H35N5O7
M.W.:
505.57
Type:
Unknown
AlogP:
-0.79
Polar Surface Area:
196.79
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4553664 Name:
(S)-4-((S)-2-((S)-2-Acetamido-3-phenylpropanamido)
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Mol. Formula:
C24H35N5O7S
M.W.:
537.64
Type:
Unknown
AlogP:
-0.69
Polar Surface Area:
196.79
HBA:
7
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4572732 Name:
4-Ethoxy-5-methyl-1-(naphthalen-2-ylmethyl)pyrimid
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Mol. Formula:
C18H18N2O2
M.W.:
294.35
Type:
Unknown
AlogP:
3.15
Polar Surface Area:
44.12
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4460867 Name:
(4S)-4-Acetamido-5-(((2S)-1-(2-(((S)-1-amino-3-mer
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Mol. Formula:
C20H33N5O7S2
M.W.:
519.65
Type:
Unknown
AlogP:
-1.52
Polar Surface Area:
188.00
HBA:
8
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4460648 Name:
5-Methyl-1-(4-nitrobenzyl)-4-(n-octylamino)pyrimid
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Mol. Formula:
C20H28N4O3
M.W.:
372.47
Type:
Unknown
AlogP:
4.28
Polar Surface Area:
90.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4473781 Name:
(2S,3S)-2-Acetamido-N-((S)-1-(((S)-1-(((S)-1-amino
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Mol. Formula:
C25H39N5O5
M.W.:
489.62
Type:
Unknown
AlogP:
0.40
Polar Surface Area:
159.49
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4544128 Name:
1-(Acetyl-L-methionyl)-N-((S)-1-((2-amino-2-oxoeth
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Mol. Formula:
C17H29N5O5S2
M.W.:
447.58
Type:
Unknown
AlogP:
-1.75
Polar Surface Area:
150.70
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4565182 Name:
1-Benzyl-4-(benzylamino)-5-methylpyrimidin-2(1H)-o
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Mol. Formula:
C19H19N3O
M.W.:
305.38
Type:
Unknown
AlogP:
3.21
Polar Surface Area:
46.92
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4541600 Name:
4-Ethoxy-5-methyl-1-(4-(trifluoromethyl)benzyl)pyr
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Mol. Formula:
C15H15F3N2O2
M.W.:
312.29
Type:
Unknown
AlogP:
3.02
Polar Surface Area:
44.12
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4454521 Name:
5-Methyl-4-(n-octylamino)-1-(4-(trifluoromethyl)be
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Mol. Formula:
C21H28F3N3O
M.W.:
395.47
Type:
Unknown
AlogP:
5.39
Polar Surface Area:
46.92
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4453591 Name:
1-Benzyl-4-(n-decylamino)-5-methylpyrimidin-2(1H)-
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Mol. Formula:
C22H33N3O
M.W.:
355.53
Type:
Unknown
AlogP:
5.15
Polar Surface Area:
46.92
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4451518 Name:
4-Ethoxy-5-methyl-1-(4-nitrobenzyl)pyrimidin-2(1H)
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Mol. Formula:
C14H15N3O4
M.W.:
289.29
Type:
Unknown
AlogP:
1.91
Polar Surface Area:
87.26
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4450908 Name:
(S)-4-((S)-2-((S)-2-Acetamido-3-phenylpropanamido)
Show More⌵
Mol. Formula:
C19H26N4O6
M.W.:
406.44
Type:
Unknown
AlogP:
-0.93
Polar Surface Area:
167.69
HBA:
5
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4442410 Name:
(2S,3S)-2-acetamido-N-((S)-1-((S)-1-amino-1-oxopro
Show More⌵
Mol. Formula:
C20H30N4O4
M.W.:
390.48
Type:
Unknown
AlogP:
0.25
Polar Surface Area:
130.39
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
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