Compounds

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ALA2063512
Name:
8-{4-[(Triphenyl-lambda-5-phosphanyl)-methyl]-phen
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Mol. Formula:
C30H26N5P
M.W.:
487.55

Type:
Small molecule
AlogP:
4.83
Polar Surface Area:
80.48
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.33
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ALA2063511
Name:
(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-((R)-6-m
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Mol. Formula:
C27H49N
M.W.:
387.70

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
7.44
Polar Surface Area:
26.02
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
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ALA2063510
Name:
8-(6-(1,3-dimethyl-2,6-dioxo-2,3,4,5,6,9-hexahydro
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Mol. Formula:
C19H23N9O5
M.W.:
457.45

3 activity values

2 unique targets
Type:
Small molecule
AlogP:
-2.46
Polar Surface Area:
166.79
HBA:
11
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.45
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ALA2063509
Name:
triphenyl-[2-(triphenyl-lambda-5-phosphanyl)ethyl]
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Mol. Formula:
C38H36P2
M.W.:
554.65

Type:
Small molecule
AlogP:
6.44
Polar Surface Area:
0.00
HBA:
---
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.18
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ALA2009105
Name:
Phosphoric acid benzyl ester 6-methyl-5,13-dioxo-5
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Cas Number:
114517-04-3

Mol. Formula:
C28H22NO6P
M.W.:
499.46

1 activity values

1 unique targets
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
94.83
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
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