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ALA4788459 Name:
3-beta-(benzoyloxystigmastane)
Mol. Formula:
C36H56O2
M.W.:
520.84
Type:
Unknown
AlogP:
9.97
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5280798 Name:
N-(5-((3-methoxyphenyl)amino)-1H-1,2,4-triazol-3-y
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Mol. Formula:
C18H21N5O3S
M.W.:
387.47
Type:
---
AlogP:
3.28
Polar Surface Area:
109.00
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5287344 Name:
7-hydroxy-3-[(2-oxo-2H-chromen-7-yl)methyl]-2H-chr
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Mol. Formula:
C19H12O5
M.W.:
320.30
Type:
---
AlogP:
3.20
Polar Surface Area:
80.65
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5285878 Name:
4,6,7-trihydroxy-3-[(2-oxo-2H-chromen-7-yl)methyl]
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Mol. Formula:
C19H12O7
M.W.:
352.30
Type:
---
AlogP:
2.61
Polar Surface Area:
121.11
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5290566 Name:
Pusilatin C
Mol. Formula:
C56H46O8
M.W.:
846.98
Type:
---
AlogP:
12.27
Polar Surface Area:
139.84
HBA:
8
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5284427 Name:
4,7-dihydroxy-6-methoxy-3-[(2-oxo-2H-chromen-7-yl)
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Mol. Formula:
C20H14O7
M.W.:
366.33
Type:
---
AlogP:
2.91
Polar Surface Area:
110.11
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5284382 Name:
2,4,5-trimethyl-N-(5-(p-tolylamino)-1H-1,2,4-triaz
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Mol. Formula:
C18H21N5O2S
M.W.:
371.47
Type:
---
AlogP:
3.58
Polar Surface Area:
99.77
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5275313 Name:
2,4,5-trimethyl-N-(5-(naphthalen-2-ylamino)-1H-1,2
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Mol. Formula:
C21H21N5O2S
M.W.:
407.50
Type:
---
AlogP:
4.43
Polar Surface Area:
99.77
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5270819 Name:
2,4,5-trimethyl-N-(5-(phenylamino)-1H-1,2,4-triazo
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Mol. Formula:
C17H19N5O2S
M.W.:
357.44
Type:
---
AlogP:
3.27
Polar Surface Area:
99.77
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5270153 Name:
S-(4,5-dimethyl-2-(N-(5-(phenylamino)-1H-1,2,4-tri
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Mol. Formula:
C17H17N5O4S2
M.W.:
419.49
Type:
---
AlogP:
3.74
Polar Surface Area:
137.07
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5269946 Name:
3-{4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]p
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Mol. Formula:
C32H21N3O8S
M.W.:
607.60
Type:
---
AlogP:
6.21
Polar Surface Area:
168.08
HBA:
9
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA3214394 Name:
SID24808427
Mol. Formula:
C21H22FN3O4S
M.W.:
431.49
Type:
Small molecule
AlogP:
2.89
Polar Surface Area:
94.22
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3214256 Name:
SID26661688
Cas Number:
347880-66-4
Mol. Formula:
C10H10ClN7O
M.W.:
279.69
Type:
Small molecule
AlogP:
0.06
Polar Surface Area:
111.08
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3213990 Name:
SID24832627
Mol. Formula:
C15H15N5OS
M.W.:
313.39
Type:
Small molecule
AlogP:
1.99
Polar Surface Area:
97.59
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3213629 Name:
SID24795799
Mol. Formula:
C23H25N3O4S
M.W.:
439.54
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
88.07
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA3213591 Name:
SID26661644
Cas Number:
349653-16-3
Mol. Formula:
C10H9BrN4O
M.W.:
281.11
Type:
Small molecule
AlogP:
1.93
Polar Surface Area:
52.30
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA3213371 Name:
SID26662498
Cas Number:
799825-83-5
Mol. Formula:
C15H18N4O2
M.W.:
286.34
Type:
Small molecule
AlogP:
1.74
Polar Surface Area:
68.51
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA3213206 Name:
SID24786969
Cas Number:
343348-18-5
Mol. Formula:
C9H11NO3S
M.W.:
213.26
Type:
Small molecule
AlogP:
1.31
Polar Surface Area:
66.73
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3212635 Name:
SID26662384
Mol. Formula:
C17H16ClN3OS
M.W.:
345.86
Type:
Small molecule
AlogP:
4.48
Polar Surface Area:
44.70
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA3212596 Name:
SID24831609
Mol. Formula:
C11H12F2N2O
M.W.:
226.23
Type:
Small molecule
AlogP:
1.63
Polar Surface Area:
24.83
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.72
DETAILS
CLOSE
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