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ALA4879076 Name:
(2S,5R)-Methyl 2-(hydroxycarbamoyl)-3,3-dimethyl-7
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Mol. Formula:
C12H14N4O6S
M.W.:
342.33
Type:
Unknown
AlogP:
-0.25
Polar Surface Area:
129.89
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4878900 Name:
(1'R,6R)-Spiro[penicillanic-6,1'-(2-benzoyl-3-benz
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Mol. Formula:
C27H25NO7S
M.W.:
507.56
Type:
Unknown
AlogP:
3.42
Polar Surface Area:
110.21
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4875541 Name:
Benzhydryl spiro[penicillanate-6,5'-(4-benzoyl-3-b
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Mol. Formula:
C38H33N3O6S
M.W.:
659.76
Type:
Unknown
AlogP:
5.32
Polar Surface Area:
114.37
HBA:
9
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4875160 Name:
Benzhydryl spiro[penicillanate-6,3'-(5-ethoxycarbo
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Mol. Formula:
C26H25N3O5S
M.W.:
491.57
Type:
Unknown
AlogP:
4.03
Polar Surface Area:
97.63
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4874585 Name:
(1'R,6R)-Methyl spiro[penicillanate-6,1'-(2-benzoy
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Mol. Formula:
C28H27NO6S
M.W.:
505.59
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
89.98
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4872463 Name:
(1'R,6R)-Benzhydryl spiro[penicillanate-6,1'-(2-be
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Mol. Formula:
C34H31NO6S
M.W.:
581.69
Type:
Unknown
AlogP:
5.37
Polar Surface Area:
89.98
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4870208 Name:
(1'R,6R)-Benzhydryl spiro[penicillanate-6,1'-(2,3-
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Mol. Formula:
C41H37NO7S
M.W.:
687.81
Type:
Unknown
AlogP:
6.80
Polar Surface Area:
99.21
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4867242 Name:
Benzhydryl spiro[penicillanate-6,3'-(5-benzhydrylo
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Mol. Formula:
C37H31N3O5S
M.W.:
629.74
Type:
Unknown
AlogP:
6.80
Polar Surface Area:
97.63
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4867240 Name:
Benzhydryl spiro[penicillanate-6,3'(4,5-dibenzhydr
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Mol. Formula:
C51H41N3O7S
M.W.:
839.97
Type:
Unknown
AlogP:
9.51
Polar Surface Area:
123.93
HBA:
10
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4865945 Name:
Spiro[penicillanic-6,3'(5-ethoxycarbonyl-3H-pyrazo
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Mol. Formula:
C13H15N3O5S
M.W.:
325.35
Type:
Unknown
AlogP:
0.78
Polar Surface Area:
108.63
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4863153 Name:
(1'R,6R)-Benzhydiyl spiro[penicillanate-6,1'-(2-be
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Mol. Formula:
C35H33NO6S
M.W.:
595.72
Type:
Unknown
AlogP:
5.76
Polar Surface Area:
89.98
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4858985 Name:
Methyl spiro[penicillanate-6,3'-(5-methoxycarbonyl
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Mol. Formula:
C13H15N3O5S
M.W.:
325.35
Type:
Unknown
AlogP:
0.48
Polar Surface Area:
97.63
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4857903 Name:
Spiro[penicillanic-6,3'-(5-tert-butoxycarbonyl-3H-
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Mol. Formula:
C15H19N3O5S
M.W.:
353.40
Type:
Unknown
AlogP:
1.56
Polar Surface Area:
108.63
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4857339 Name:
(1'R,6R)-Benzhydryl spiro[penicillanate-6,1'-(2-be
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Mol. Formula:
C37H37NO6S
M.W.:
623.77
Type:
Unknown
AlogP:
6.54
Polar Surface Area:
89.98
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4857287 Name:
(1'R,6R)-Benzhydrylspiro[penicillanate-6,1'-(2-ben
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Mol. Formula:
C34H31NO6S
M.W.:
581.69
Type:
Unknown
AlogP:
5.37
Polar Surface Area:
89.98
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4861134 Name:
(1'R,6R)-Benzhydryl spiro[penicillanate-6,1'-(2-be
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Mol. Formula:
C37H37NO6S
M.W.:
623.77
Type:
Unknown
AlogP:
6.54
Polar Surface Area:
89.98
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4860940 Name:
(1'R,6R)-Sodium spiro[penicillanate-6,1'-(2-benzoy
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Mol. Formula:
C27H24NNaO6S
M.W.:
513.55
Type:
Unknown
AlogP:
3.69
Polar Surface Area:
100.98
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4848811 Name:
Benzhydryl spiro[penicillanate-6,3'-(5-(2-naphthox
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Mol. Formula:
C34H27N3O5S
M.W.:
589.67
Type:
Unknown
AlogP:
6.23
Polar Surface Area:
97.63
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4868227 Name:
Spiro[penicillanic-6,3'-(5-hydroxycarbonyl-3H-pyra
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Mol. Formula:
C11H11N3O5S
M.W.:
297.29
Type:
Unknown
AlogP:
0.31
Polar Surface Area:
119.63
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4546070 Name:
1-(3,5-Dimethylphenyl)-6-methyl-1H-pyrazolo[4,3-c]
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Mol. Formula:
C15H15N3O
M.W.:
253.31
Type:
Unknown
AlogP:
2.64
Polar Surface Area:
50.68
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.72
DETAILS
CLOSE
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