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ALA4475266 Name:
Buphanisine-N-oxide
Mol. Formula:
C17H19NO4
M.W.:
301.34
Type:
Unknown
AlogP:
2.23
Polar Surface Area:
50.75
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4536495 Name:
(S)-N-((5S,8S,11S)-8,11-diisopropyl-7,10-dimethyl-
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Mol. Formula:
C37H64N6O5S
M.W.:
705.02
Type:
Unknown
AlogP:
3.28
Polar Surface Area:
131.16
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4534852 Name:
Perovskone C
Mol. Formula:
C30H40O4
M.W.:
464.65
Type:
Unknown
AlogP:
6.09
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4534247 Name:
Noraugustamine
Mol. Formula:
C17H19NO3
M.W.:
285.34
Type:
Unknown
AlogP:
2.27
Polar Surface Area:
39.72
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4558763 Name:
Phaedranamine
Mol. Formula:
C17H19NO4
M.W.:
301.34
Type:
Unknown
AlogP:
1.57
Polar Surface Area:
51.16
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4552547 Name:
Narcissidine
Mol. Formula:
C18H23NO5
M.W.:
333.38
Type:
Unknown
AlogP:
0.66
Polar Surface Area:
71.39
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4517311 Name:
(S)-2-((S)-N,3-dimethyl-2-((S)-3-methyl-2-(methyla
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Mol. Formula:
C31H53N5O4
M.W.:
559.80
Type:
Unknown
AlogP:
2.70
Polar Surface Area:
110.85
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4744091 Name:
4-(2-Methoxyphenyl)-6-(pyridin-2-yl)pyrimidine
Mol. Formula:
C16H14N4O
M.W.:
278.32
Type:
Unknown
AlogP:
2.80
Polar Surface Area:
73.92
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4743697 Name:
4,6-Bis(Pyridin-3-yl)pyrimidine
Cas Number:
942206-34-0
Mol. Formula:
C14H10N4
M.W.:
234.26
Type:
Unknown
AlogP:
2.60
Polar Surface Area:
51.56
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4740462 Name:
4-(2-Methoxyphenyl)-6-(pyridin-2-yl)pyrimidin-2-am
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Mol. Formula:
C16H13N3O
M.W.:
263.30
Type:
Unknown
AlogP:
3.21
Polar Surface Area:
47.90
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4765064 Name:
4-Phenyl-6-(pyridin-3-yl)pyrimidin-2-amine
Mol. Formula:
C15H12N4
M.W.:
248.29
Type:
Unknown
AlogP:
2.79
Polar Surface Area:
64.69
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4764717 Name:
4-(2H-1,3-benzodioxol-5-yl)-6-(pyridin-3-yl)pyrimi
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Mol. Formula:
C16H11N3O2
M.W.:
277.28
Type:
Unknown
AlogP:
2.93
Polar Surface Area:
57.13
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4764349 Name:
4-(2-Methoxyphenyl)-6-(pyridin-3-yl)pyrimidin-2-am
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Mol. Formula:
C16H14N4O
M.W.:
278.32
Type:
Unknown
AlogP:
2.80
Polar Surface Area:
73.92
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4764272 Name:
4,6-Bis(Pyridin-3-yl)pyrimidin-2-amine
Mol. Formula:
C14H11N5
M.W.:
249.28
Type:
Unknown
AlogP:
2.18
Polar Surface Area:
77.58
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4764054 Name:
4-(2-Methoxyphenyl)-6-(pyridin-4-yl)pyrimidine
Mol. Formula:
C16H14N4O
M.W.:
278.32
Type:
Unknown
AlogP:
2.80
Polar Surface Area:
73.92
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4763335 Name:
4-(4-Methoxyphenyl)-6-(pyridin-3-yl)pyrimidin-2-am
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Mol. Formula:
C16H14N4O
M.W.:
278.32
Type:
Unknown
AlogP:
2.80
Polar Surface Area:
73.92
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4763240 Name:
4-(3-Methoxyphenyl)-6-(pyridin-3-yl)pyrimidin-2-am
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Mol. Formula:
C16H14N4O
M.W.:
278.32
Type:
Unknown
AlogP:
2.80
Polar Surface Area:
73.92
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4575198 Name:
(S)-2-((S)-N,3-dimethyl-2-((S)-3-methyl-2-(methyla
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Mol. Formula:
C31H53N5O4S
M.W.:
591.86
Type:
Unknown
AlogP:
2.79
Polar Surface Area:
110.85
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4573785 Name:
3-O-acetylsanguinine
Mol. Formula:
C18H21NO4
M.W.:
315.37
Type:
Unknown
AlogP:
2.12
Polar Surface Area:
59.00
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4759442 Name:
4-(3,4-Dimethoxyphenyl)-6-(pyridin-3-yl)pyrimidin-
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Mol. Formula:
C17H16N4O2
M.W.:
308.34
Type:
Unknown
AlogP:
2.81
Polar Surface Area:
83.15
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
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