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ALA5285501 Name:
4'-acetamido-3-(naphthalen-1-ylmethoxy)-[1,1'-biph
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Mol. Formula:
C26H21NO4
M.W.:
411.46
Type:
---
AlogP:
5.74
Polar Surface Area:
75.63
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1160285 Name:
Benzoylphenoxy analogue
Mol. Formula:
C23H28O9P2
M.W.:
510.42
Type:
Small molecule
AlogP:
5.20
Polar Surface Area:
139.59
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA1160284 Name:
Benzoylphenoxy analogue
Mol. Formula:
C18H20O9P2
M.W.:
442.30
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
139.59
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA1160278 Name:
Benzoylphenoxy analogue
Mol. Formula:
C23H28O9P2
M.W.:
510.42
Type:
Small molecule
AlogP:
5.20
Polar Surface Area:
139.59
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA1160277 Name:
(2E)-4-(3-benzoylphenoxy)-3-methylbut-2-enyl trihy
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Mol. Formula:
C18H20O9P2
M.W.:
442.30
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
139.59
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4546517 Name:
(4bR,8aS)-4b-(5-((S)-1-((Hydroxymethyl)amino)ethyl
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Mol. Formula:
C24H35N3O4
M.W.:
429.56
Type:
Unknown
AlogP:
4.26
Polar Surface Area:
111.64
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4546323 Name:
(4bR,8aS)-4b-(5-(4-Bromophenyl)-1,3,4-oxadiazol-2-
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Mol. Formula:
C27H27BrN2O4
M.W.:
523.43
Type:
Unknown
AlogP:
5.57
Polar Surface Area:
90.13
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4550499 Name:
(R)-(2-(3-Fluorophenyl)-1-((6-(p-tolyl)thieno[2,3-
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Mol. Formula:
C21H19FN3O3PS
M.W.:
443.44
Type:
Unknown
AlogP:
4.96
Polar Surface Area:
95.34
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4550442 Name:
(4bR,8aS)-2-Isopropyl-8,8-dimethyl-5,6,7,8,8a,9-he
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Mol. Formula:
C20H22O5
M.W.:
342.39
Type:
Unknown
AlogP:
2.34
Polar Surface Area:
77.51
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4550027 Name:
(R)-2-((6-(3-Chloro-4-methylphenyl)thieno[2,3-d]-p
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Mol. Formula:
C22H17ClFN3O2S
M.W.:
441.92
Type:
Unknown
AlogP:
5.57
Polar Surface Area:
75.11
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5276276 Name:
6-amino-5-ethoxy-8-(naphthalen-1-yl)quinoline-2-ca
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Mol. Formula:
C22H18N2O3
M.W.:
358.40
Type:
---
AlogP:
4.73
Polar Surface Area:
85.44
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4795079 Name:
[guanidinomethyl(hydroxy)phosphoryl]methylphosphon
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Mol. Formula:
C3H11N3O5P2
M.W.:
231.09
Type:
Unknown
AlogP:
-1.38
Polar Surface Area:
159.23
HBA:
3
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4556412 Name:
Methyl (4aR,10aS)-5-((tert-Butyldimethylsilyl)oxy)
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Mol. Formula:
C27H42O5Si
M.W.:
474.71
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4554538 Name:
(4bR,8aS)-2-Isopropyl-8,8-dimethyl-4b-(5-methyl-1,
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Mol. Formula:
C22H30N2O3
M.W.:
370.49
Type:
Unknown
AlogP:
4.97
Polar Surface Area:
79.38
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4759133 Name:
[acetamidomethyl(hydroxy)phosphoryl]methylphosphon
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Mol. Formula:
C4H11NO6P2
M.W.:
231.08
Type:
Unknown
AlogP:
-0.51
Polar Surface Area:
123.93
HBA:
3
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4538938 Name:
Methyl (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-9-meth
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Mol. Formula:
C22H32O5
M.W.:
376.49
Type:
Unknown
AlogP:
4.55
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4534214 Name:
(S)-(2-(3-Fluorophenyl)-1-((6-(p-tolyl)thieno[2,3-
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Mol. Formula:
C21H19FN3O3PS
M.W.:
443.44
Type:
Unknown
AlogP:
4.96
Polar Surface Area:
95.34
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4532131 Name:
Methyl (4aR,10aS)-9-(Butylthio)-5,6-dihydroxy-7-is
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Mol. Formula:
C25H38O4S
M.W.:
434.64
Type:
Unknown
AlogP:
6.44
Polar Surface Area:
66.76
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4531257 Name:
Methyl (4aR,10aS)-9-((2-Hydroxyethyl)thio)-7-isopr
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Mol. Formula:
C23H32O5S
M.W.:
420.57
Type:
Unknown
AlogP:
3.50
Polar Surface Area:
80.67
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4094213 Name:
(S)-(3-Phenyl-2-((6-(p-tolyl)thieno[2,3-d]pyrimidi
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Mol. Formula:
C22H21N4O4PS
M.W.:
468.48
Type:
Small molecule
AlogP:
3.90
Polar Surface Area:
124.44
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
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