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ALA5179416 Name:
(1S,2S,14R,22R)-23-methyl-15-oxa-12,23-diazaheptac
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Mol. Formula:
C24H22N2O3
M.W.:
386.45
Type:
---
AlogP:
2.86
Polar Surface Area:
65.82
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3350131 Name:
1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,
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Mol. Formula:
C60H78N12O16
M.W.:
1223.35
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3274696 Name:
NA
Mol. Formula:
C27H35NO4
M.W.:
437.58
Type:
Small molecule
AlogP:
3.72
Polar Surface Area:
62.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3274695 Name:
NA
Mol. Formula:
C25H31NO4
M.W.:
409.53
Type:
Small molecule
AlogP:
2.94
Polar Surface Area:
62.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA3274694 Name:
NA
Mol. Formula:
C28H37NO4
M.W.:
451.61
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
62.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA3274693 Name:
NA
Mol. Formula:
C26H33NO4
M.W.:
423.55
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
62.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA3084322 Name:
4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azape
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Mol. Formula:
C24H29NO5
M.W.:
411.50
Type:
Small molecule
AlogP:
2.44
Polar Surface Area:
79.23
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA2367763 Name:
5-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2
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Mol. Formula:
C20H25NO3
M.W.:
327.42
Type:
Small molecule
AlogP:
2.79
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2310843 Name:
4-cyclopropylmethyl-14-(2-isothiocyanatoethoxy)-12
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Mol. Formula:
C22H28N2O4S
M.W.:
416.54
Type:
Small molecule
AlogP:
2.07
Polar Surface Area:
74.52
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2309781 Name:
Bimorphinan analogue
Mol. Formula:
C40H43N3O6
M.W.:
661.80
Type:
Small molecule
AlogP:
3.82
Polar Surface Area:
121.65
HBA:
8
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2112740 Name:
17-(cyclopropylmethyl)-6beta-(1-naphthylmethoxy)-4
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Mol. Formula:
C31H33NO4
M.W.:
483.61
Type:
Small molecule
AlogP:
4.69
Polar Surface Area:
62.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA2112736 Name:
17-(cyclopropylmethyl)-6beta-(9-anthracylmethoxy)-
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Mol. Formula:
C35H35NO4
M.W.:
533.67
Type:
Small molecule
AlogP:
5.85
Polar Surface Area:
62.16
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA2112732 Name:
17-(cyclopropylmethyl)-6beta-(benzyloxy)-4,5alpha-
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Mol. Formula:
C27H31NO4
M.W.:
433.55
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
62.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2112730 Name:
17-(cyclopropylmethyl)-6alpha-(benzyloxy)-4,5alpha
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Mol. Formula:
C33H35NO4
M.W.:
509.65
Type:
Small molecule
AlogP:
5.21
Polar Surface Area:
62.16
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2112729 Name:
17-(cyclopropylmethyl)-6beta-(2-naphthylmethoxy)-4
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Mol. Formula:
C31H33NO4
M.W.:
483.61
Type:
Small molecule
AlogP:
4.69
Polar Surface Area:
62.16
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA2112088 Name:
3-[9-(Ethyl-methyl-amino)-5,9a-dihydroxy-9b-methyl
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Mol. Formula:
C21H24N2O6
M.W.:
400.43
Type:
Small molecule
AlogP:
0.30
Polar Surface Area:
119.33
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA2112087 Name:
3-Amino-N-[9-(ethyl-methyl-amino)-5,9a-dihydroxy-9
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Mol. Formula:
C21H27N3O6
M.W.:
417.46
Type:
Small molecule
AlogP:
-0.54
Polar Surface Area:
145.35
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA2112085 Name:
{[9-(Ethyl-methyl-amino)-5,9a-dihydroxy-9b-methyl-
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Mol. Formula:
C21H26N2O7
M.W.:
418.45
Type:
Small molecule
AlogP:
-0.24
Polar Surface Area:
128.56
HBA:
7
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA2112083 Name:
3-[9-(Ethyl-methyl-amino)-5,9a-dihydroxy-9b-methyl
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Mol. Formula:
C21H24N2O6
M.W.:
400.43
Type:
Small molecule
AlogP:
0.30
Polar Surface Area:
119.33
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA2112079 Name:
N-[9-(Ethyl-methyl-amino)-5,9a-dihydroxy-9b-methyl
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Mol. Formula:
C21H26N2O6
M.W.:
402.45
Type:
Small molecule
AlogP:
0.53
Polar Surface Area:
119.33
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
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