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ALA4777797 Name:
(1R,5S)-N-(adamantan-2-yl)-6,6-dimethylbicyclo[3.1
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Mol. Formula:
C20H29NO
M.W.:
299.46
Type:
Unknown
AlogP:
3.92
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4764761 Name:
N-(3,7-dimethyloctyl)adamantane-2-carboxamide
Mol. Formula:
C21H37NO
M.W.:
319.53
Type:
Unknown
AlogP:
5.03
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5267410 Name:
3-(4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-y
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Mol. Formula:
C26H19BrClN5O
M.W.:
532.83
Type:
---
AlogP:
6.07
Polar Surface Area:
86.69
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5184260 Name:
1,1'-(9H-xanthene-2,7-diyl)bis(2-(dimethylamino)et
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Mol. Formula:
C21H24N2O3
M.W.:
352.43
Type:
---
AlogP:
2.87
Polar Surface Area:
49.85
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4755507 Name:
N-(1-adamantyl)-3,7-dimethyl-oct-6-enamide
Mol. Formula:
C20H33NO
M.W.:
303.49
Type:
Unknown
AlogP:
4.84
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4753749 Name:
N-((E)-3,7-Dimethylocta-2,6-dien-1-yl)adamantane-1
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Mol. Formula:
C21H33NO
M.W.:
315.50
Type:
Unknown
AlogP:
5.01
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4752293 Name:
N-(2-((R)-2,2,3-Trimethylcyclopent-3-en-1-yl)ethyl
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Mol. Formula:
C21H33NO
M.W.:
315.50
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4752180 Name:
N-((S)-3,7-Dimethyloct-6-en-1-yl)adamantane-1-carb
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Mol. Formula:
C21H35NO
M.W.:
317.52
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4751564 Name:
1H-indole-2,3-dione 3-(N-2-adamantylthiosemicarbaz
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Cas Number:
92882-05-8
Mol. Formula:
C19H22N4OS
M.W.:
354.48
Type:
Unknown
AlogP:
2.63
Polar Surface Area:
65.52
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4794434 Name:
(1R,5S)-N-(Adamantan-1-yl)-6,6-dimethylbicyclo[3.1
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Mol. Formula:
C20H29NO
M.W.:
299.46
Type:
Unknown
AlogP:
4.06
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4559597 Name:
N'-[(1R,2E,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2
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Mol. Formula:
C15H20N2O2
M.W.:
260.34
Type:
Unknown
AlogP:
3.21
Polar Surface Area:
54.60
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4798123 Name:
N-(Adamantan-1-yl)-1-((1S,4R)-7,7-dimethyl-2-oxobi
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Mol. Formula:
C20H31NO3S
M.W.:
365.54
Type:
Unknown
AlogP:
3.27
Polar Surface Area:
63.24
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4762951 Name:
N-((1R,2R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-
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Mol. Formula:
C21H33NO
M.W.:
315.50
Type:
Unknown
AlogP:
4.53
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4761483 Name:
N-(Adamantan-2-yl)-1-((1S,4R)-7,7-dimethyl-2-oxobi
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Mol. Formula:
C20H31NO3S
M.W.:
365.54
Type:
Unknown
AlogP:
3.13
Polar Surface Area:
63.24
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4759505 Name:
N-(2-((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-
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Mol. Formula:
C22H33NO
M.W.:
327.51
Type:
Unknown
AlogP:
4.70
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4758977 Name:
N-(2-((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-
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Mol. Formula:
C22H33NO
M.W.:
327.51
Type:
Unknown
AlogP:
4.56
Polar Surface Area:
29.10
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4537459 Name:
6-oxo-N'-[(1R,2E,4R)-1,7,7-trimethylbicyclo[2.2.1]
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Mol. Formula:
C23H31N3O4
M.W.:
413.52
Type:
Unknown
AlogP:
2.22
Polar Surface Area:
80.23
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4529177 Name:
2,2,2-Trifluoro-N'-[(1R,2E,4R)-1,7,7-trimethylbicy
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Mol. Formula:
C12H17F3N2O
M.W.:
262.27
Type:
Unknown
AlogP:
2.87
Polar Surface Area:
41.46
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.73
DETAILS
CLOSE
ALA4525896 Name:
1-oxo-2-(2-phenylethyl)-N'-[(1R,2E,4R)-1,7,7-trime
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Mol. Formula:
C27H33N3O3
M.W.:
447.58
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
71.00
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4513878 Name:
2-ethyl-1-oxo-N'-[(1R,2E,4R)-1,7,7-trimethylbicycl
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Mol. Formula:
C21H29N3O3
M.W.:
371.48
Type:
Unknown
AlogP:
2.11
Polar Surface Area:
71.00
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
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