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ALA5280361 Name:
((2S,3R,4R,5R)-5-(4-amino-3-(p-tolyl)-1H-pyrazolo[
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Mol. Formula:
C23H25N5O5S
M.W.:
483.55
Type:
---
AlogP:
2.43
Polar Surface Area:
131.45
HBA:
10
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5289804 Name:
5-hydroxy-4,6-dimethyl-1,3-dihydro-2H-pyrrolo[2,3-
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Mol. Formula:
C9H10N2O2
M.W.:
178.19
Type:
---
AlogP:
0.90
Polar Surface Area:
62.22
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA1160760 Name:
[(4-{2-Acetylamino-2-[1-(3-cyclohexyl-propyl)-2-ox
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Mol. Formula:
C27H40F2N3O6P
M.W.:
571.60
Type:
Small molecule
AlogP:
3.82
Polar Surface Area:
136.04
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA1160756 Name:
({4-[2-Acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-
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Mol. Formula:
C31H34F2N3O6P
M.W.:
613.60
Type:
Small molecule
AlogP:
4.33
Polar Surface Area:
136.04
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA1160754 Name:
Phosphoric acid mono-{4-[5-oxo-4-(3-phenyl-propyl)
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Mol. Formula:
C21H25N2O6PS
M.W.:
464.48
Type:
Small molecule
AlogP:
2.46
Polar Surface Area:
116.17
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1160752 Name:
Phosphoric acid mono-{4-[1-(4-tert-butyl-benzyl)-2
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Mol. Formula:
C24H31N2O6P
M.W.:
474.49
Type:
Small molecule
AlogP:
3.77
Polar Surface Area:
116.17
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA1160324 Name:
Phosphoric acid mono-[4-(3-amino-4-cyclohexylmetho
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Mol. Formula:
C21H27N2O6P
M.W.:
434.43
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
131.11
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA1160323 Name:
Phosphoric acid mono-[4-(4-cyclohexylmethoxy-benzy
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Mol. Formula:
C21H26NO6P
M.W.:
419.41
Type:
Small molecule
AlogP:
4.05
Polar Surface Area:
105.09
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA1160322 Name:
Phosphoric acid mono-[4-(3-chloro-4-cyclohexylmeth
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Mol. Formula:
C21H25ClNO6P
M.W.:
453.86
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
105.09
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1160321 Name:
Phosphoric acid mono-[4-(4-cyclohexylmethoxy-3-met
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Mol. Formula:
C22H28NO6P
M.W.:
433.44
Type:
Small molecule
AlogP:
4.36
Polar Surface Area:
105.09
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1160318 Name:
Phosphoric acid mono-[4-(4-cyclohexylmethoxy-3-met
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Mol. Formula:
C23H29N2O7P
M.W.:
476.47
Type:
Small molecule
AlogP:
3.41
Polar Surface Area:
134.19
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA1160317 Name:
Phosphoric acid mono-[4-(3-acetyl-4-cyclohexylmeth
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Mol. Formula:
C23H28NO7P
M.W.:
461.45
Type:
Small molecule
AlogP:
4.25
Polar Surface Area:
122.16
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1160313 Name:
Phosphoric acid mono-[4-(3-carbamoyl-4-cyclohexylm
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Mol. Formula:
C22H27N2O7P
M.W.:
462.44
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
148.18
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1084268 Name:
((4-(2-(cis-4-aminocyclohexyl)-9-ethyl-9H-purin-6-
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Mol. Formula:
C20H28N6O5P2
M.W.:
494.43
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
176.48
HBA:
8
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA1086680 Name:
(E)-4-(2,4-dichlorophenylamino)-6-(4-morpholinobut
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Mol. Formula:
C24H22Cl2N4O
M.W.:
453.37
Type:
Small molecule
AlogP:
5.89
Polar Surface Area:
61.18
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1086679 Name:
(E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-(4-mor
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Mol. Formula:
C25H24Cl2N4O2
M.W.:
483.40
Type:
Small molecule
AlogP:
5.90
Polar Surface Area:
70.41
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA1088697 Name:
(E)-4-(2,4-dichloro-5-methoxyphenylamino)-8-(4-mor
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Mol. Formula:
C25H24Cl2N4O2
M.W.:
483.40
Type:
Small molecule
AlogP:
5.90
Polar Surface Area:
70.41
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA1088122 Name:
(E)-4-(2,4-dichlorophenylamino)-7-(4-morpholinobut
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Mol. Formula:
C24H22Cl2N4O
M.W.:
453.37
Type:
Small molecule
AlogP:
5.89
Polar Surface Area:
61.18
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1088121 Name:
(E)-4-(2,4-dichloro-5-methoxyphenylamino)-7-(4-mor
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Mol. Formula:
C25H24Cl2N4O2
M.W.:
483.40
Type:
Small molecule
AlogP:
5.90
Polar Surface Area:
70.41
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA1098363 Name:
(E)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methox
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Mol. Formula:
C33H40Cl2N4O3
M.W.:
611.61
Type:
Small molecule
AlogP:
8.64
Polar Surface Area:
79.64
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
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