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ALA4876394 Name:
N-(5,6-Dihydroxybenzo[d]thiazol-2-yl)-2,2-diphenyl
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Mol. Formula:
C21H16N2O3S
M.W.:
376.44
Type:
Unknown
AlogP:
4.48
Polar Surface Area:
82.45
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4875980 Name:
Methyl 3-thiosemicarbazone-18beta-olean-12-en-30-o
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Mol. Formula:
C32H51N3O2S
M.W.:
541.85
Type:
Unknown
AlogP:
7.15
Polar Surface Area:
76.71
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4875833 Name:
Methyl 1,2,3-thiadiazolor4,5-b]-18betaH-olean-12-e
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Mol. Formula:
C31H46N2O2S
M.W.:
510.79
Type:
Unknown
AlogP:
7.53
Polar Surface Area:
52.08
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4870229 Name:
3beta-acetoxy-11-oxo-18betaH-olean-12-en-30-oic ac
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Mol. Formula:
C37H52N2O4
M.W.:
588.83
Type:
Unknown
AlogP:
7.93
Polar Surface Area:
85.36
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4870122 Name:
Methyl 3-semicarbazone-11-oxo-18betaH-olean-12-en-
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Mol. Formula:
C32H49N3O4
M.W.:
539.76
Type:
Unknown
AlogP:
6.16
Polar Surface Area:
110.85
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5287287 Name:
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-(5-((2-
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Mol. Formula:
C22H22FN3O4
M.W.:
411.43
Type:
---
AlogP:
2.13
Polar Surface Area:
89.63
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5286612 Name:
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-4-methyl-
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Mol. Formula:
C21H21FN4O3
M.W.:
396.42
Type:
---
AlogP:
1.82
Polar Surface Area:
93.29
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5284240 Name:
(2R,3R,4R,5R)-5-(5-((4-bromophenyl)ethynyl)-4-meth
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Mol. Formula:
C21H19BrFN3O3
M.W.:
460.30
Type:
---
AlogP:
2.88
Polar Surface Area:
80.40
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5284233 Name:
(2R,3R,4R,5R)-5-(5-(3,3-dimethylbut-1-yn-1-yl)-4-m
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Mol. Formula:
C19H24FN3O3
M.W.:
361.42
Type:
---
AlogP:
2.12
Polar Surface Area:
80.40
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5283922 Name:
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-(5-((4-
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Mol. Formula:
C22H22FN3O4
M.W.:
411.43
Type:
---
AlogP:
2.13
Polar Surface Area:
89.63
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5283594 Name:
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-5-(5-((6-
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Mol. Formula:
C21H21FN4O4
M.W.:
412.42
Type:
---
AlogP:
1.52
Polar Surface Area:
102.52
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5282843 Name:
(4S,E)-3-(2-((1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxym
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Mol. Formula:
C29H35NO5
M.W.:
477.60
Type:
---
AlogP:
4.60
Polar Surface Area:
88.88
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5282223 Name:
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-4-methyl-
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Mol. Formula:
C22H22FN3O3
M.W.:
395.43
Type:
---
AlogP:
2.43
Polar Surface Area:
80.40
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5281877 Name:
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-4-methyl-
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Mol. Formula:
C19H18FN5O3
M.W.:
383.38
Type:
---
AlogP:
0.91
Polar Surface Area:
106.18
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5279697 Name:
(2R,3R,4R,5R)-5-(5-ethynyl-4-methyl-7H-pyrrolo[2,3
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Mol. Formula:
C15H16FN3O3
M.W.:
305.31
Type:
---
AlogP:
0.70
Polar Surface Area:
80.40
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5279309 Name:
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-4-methyl-
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Mol. Formula:
C22H24FN3O3
M.W.:
397.45
Type:
---
AlogP:
2.99
Polar Surface Area:
80.40
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5278801 Name:
(2R,3R,4R,5R)-4-fluoro-2-(hydroxymethyl)-4-methyl-
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Mol. Formula:
C22H22FN3O3
M.W.:
395.43
Type:
---
AlogP:
2.43
Polar Surface Area:
80.40
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4865221 Name:
3beta-acetoxy-11-oxo-18beta11-olean-12-en-30-oic a
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Mol. Formula:
C41H54N2O4
M.W.:
638.89
Type:
Unknown
AlogP:
9.09
Polar Surface Area:
85.36
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4864689 Name:
N-(5,6-Dimethoxy-benzothiazol-2-yl)-2,2-diphenyl-a
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Mol. Formula:
C23H20N2O3S
M.W.:
404.49
Type:
Unknown
AlogP:
5.08
Polar Surface Area:
60.45
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4864423 Name:
1,2,3-thiadiazole-30-methy 3beta-hydroxy-11-oxo-18
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Mol. Formula:
C31H44N2O3S
M.W.:
524.77
Type:
Unknown
AlogP:
6.71
Polar Surface Area:
69.15
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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