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ALA5280689 Name:
(1r,3s,5R,7S)-3-(2-(1,1-dioxido-6-(2,4,6-trichloro
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Mol. Formula:
C22H27Cl3N4O4S
M.W.:
549.91
Type:
---
AlogP:
3.34
Polar Surface Area:
112.81
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5289930 Name:
N-((1s,3r,5R,7S)-3-carbamoyladamantan-1-yl)-3-((2-
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Mol. Formula:
C21H26FN3O4S2
M.W.:
467.59
Type:
---
AlogP:
1.83
Polar Surface Area:
109.57
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5271419 Name:
N-(adamantan-1-yl)thiazolidine-2-carboxamide
Mol. Formula:
C14H22N2OS
M.W.:
266.41
Type:
---
AlogP:
1.73
Polar Surface Area:
41.13
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.80
DETAILS
CLOSE
ALA4091525 Name:
(5S,8R,9R,10S,12R,13S,14R,17S)-4,4,8,10,14-Pentame
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Mol. Formula:
C22H36O2
M.W.:
332.53
Type:
Small molecule
AlogP:
4.55
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4087910 Name:
(3S,5R,8R,9R,10R,12R,13S,14R,17R)-4,4,8,10,14-pent
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Mol. Formula:
C22H38O3
M.W.:
350.54
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4086967 Name:
5b,9,9,11a,11b-pentamethyloctadecahydronaphtho[2',
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Mol. Formula:
C23H38O2
M.W.:
346.56
Type:
Small molecule
AlogP:
5.04
Polar Surface Area:
29.46
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4083743 Name:
(3S,3aS,4R,5aR,6R,9aR,9bR)-7-(2-hydroxypropan-2-yl
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Mol. Formula:
C22H40O4
M.W.:
368.56
Type:
Small molecule
AlogP:
3.11
Polar Surface Area:
80.92
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4081242 Name:
Colletonic acid
Mol. Formula:
C15H24O3
M.W.:
252.35
Type:
Small molecule
AlogP:
2.84
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.74
DETAILS
CLOSE
ALA4066172 Name:
(3S,5R,8R,9R,10R,12R,13R,14R)-4,4,8,10,14-Pentamet
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Mol. Formula:
C26H40O5
M.W.:
432.60
Type:
Small molecule
AlogP:
5.10
Polar Surface Area:
69.67
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4066034 Name:
(2S,4aR,4bR,6R,8S,8aR,10aR)-1,1,4a,8,8a-pentamethy
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Mol. Formula:
C28H44O6
M.W.:
476.65
Type:
Small molecule
AlogP:
5.45
Polar Surface Area:
86.74
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4065535 Name:
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-(hydroxymethy
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Mol. Formula:
C23H40O3
M.W.:
364.57
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4085474 Name:
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-Chloro-4,4,8,
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Mol. Formula:
C26H41ClO4
M.W.:
453.06
Type:
Small molecule
AlogP:
6.14
Polar Surface Area:
52.60
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4084915 Name:
(3S,5R,8R,9R,10R,12R,13S,14R,17S)-4,4,8,10,14-Pent
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Mol. Formula:
C22H38O3
M.W.:
350.54
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4084460 Name:
(3S,5R,8R,9R,10R,12R,14S)-4,4,8,10,14-Pentamethyl-
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Mol. Formula:
C22H36O2
M.W.:
332.53
Type:
Small molecule
AlogP:
4.70
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4064979 Name:
(2S,4aR,4bR,6R,8S,8aR,10aR)-6-Hydroxy-1,1,4a,8,8a-
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Mol. Formula:
C26H42O5
M.W.:
434.62
Type:
Small molecule
AlogP:
4.88
Polar Surface Area:
80.67
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4297286 Name:
HSD-016
Cas Number:
946396-92-5
Mol. Formula:
C21H21F7N2O3S
M.W.:
514.46
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
60.85
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4103361 Name:
(3S,5R,8R,9R,10R,14S)-3-Hydroxy-4,4,8,10,14-pentam
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Mol. Formula:
C22H34O2
M.W.:
330.51
Type:
Small molecule
AlogP:
4.91
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4102864 Name:
(3S,5R,8R,9R,10R,12R,13S,14R,17S)-12,17-Dihydroxy-
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Mol. Formula:
C24H40O4
M.W.:
392.58
Type:
Small molecule
AlogP:
4.32
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4102413 Name:
(3S,5R,8R,9R,10R,12R,13R,14R)-4,4,8,10,14-Pentamet
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Mol. Formula:
C22H38O2
M.W.:
334.54
Type:
Small molecule
AlogP:
4.78
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4100206 Name:
3-((3S,3aS,4R,5aR,6R,9aR,9bR)-3,4-dihydroxy-7-(2-h
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Mol. Formula:
C22H38O5
M.W.:
382.54
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
97.99
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
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