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ALA4514281 Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-
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Mol. Formula:
C94H132N22O27
M.W.:
2002.22
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4513950 Name:
NA
Mol. Formula:
C32H33NO11
M.W.:
607.61
Type:
Unknown
AlogP:
0.97
Polar Surface Area:
179.39
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4483555 Name:
2-(3,4-Dimethoxyphenyl)pyrimidine
Mol. Formula:
C12H12N2O2
M.W.:
216.24
Type:
Unknown
AlogP:
2.16
Polar Surface Area:
44.24
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4476824 Name:
4-(((5-bromo-2-(prop-2-yn-1-yloxy)benzylidene)amin
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Mol. Formula:
C17H15BrN2O3S
M.W.:
407.29
Type:
Unknown
AlogP:
2.73
Polar Surface Area:
81.75
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4476739 Name:
3-(4-chlorophenyl)-N-(6-methylbenzo[d]thiazol-2-yl
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Mol. Formula:
C24H17ClN4OS
M.W.:
444.95
Type:
Unknown
AlogP:
6.36
Polar Surface Area:
59.81
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4476675 Name:
sodium (2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,
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Mol. Formula:
C49H75NaO11
M.W.:
863.12
Type:
Unknown
AlogP:
8.41
Polar Surface Area:
150.21
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4476580 Name:
(-)-Lychnopholide
Cas Number:
77448-64-7
Mol. Formula:
C20H22O6
M.W.:
358.39
Type:
Unknown
AlogP:
2.55
Polar Surface Area:
78.90
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4476344 Name:
(+)-Eremantholide C
Mol. Formula:
C19H22O6
M.W.:
346.38
Type:
Unknown
AlogP:
1.79
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4475813 Name:
NA
Mol. Formula:
C32H33NO11
M.W.:
607.61
Type:
Unknown
AlogP:
0.97
Polar Surface Area:
179.39
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4475016 Name:
3-((1-(3-((2-oxo-2H-chromen-7-yl)oxy)propyl)-1H-1,
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Mol. Formula:
C22H19N3O5
M.W.:
405.41
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
96.45
HBA:
8
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4474843 Name:
N-(5-Phenylthiazol-2-yl)acrylamide
Mol. Formula:
C12H10N2OS
M.W.:
230.29
Type:
Unknown
AlogP:
2.93
Polar Surface Area:
41.99
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.82
DETAILS
CLOSE
ALA4474410 Name:
2-((1-((1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]in
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Mol. Formula:
C35H26N6O4
M.W.:
594.63
Type:
Unknown
AlogP:
5.99
Polar Surface Area:
115.23
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4474147 Name:
N-(1-Phenyl-1H-pyrazol-4-yl)acrylamide
Mol. Formula:
C12H11N3O
M.W.:
213.24
Type:
Unknown
AlogP:
2.00
Polar Surface Area:
46.92
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.79
DETAILS
CLOSE
Type:
Unknown
AlogP:
6.78
Polar Surface Area:
80.32
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4540475 Name:
3R,5-dihydroxy-2,2,8,8-tetramethyl-6-(2-methylprop
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Mol. Formula:
C20H24O6
M.W.:
360.41
Type:
Unknown
AlogP:
3.13
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4539838 Name:
(E)-2-(2-(4-(3-(3,4,5-Trifluorophenyl)acryloyl)pip
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Mol. Formula:
C27H22F3N3O3
M.W.:
493.49
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
60.93
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4539418 Name:
3R,5-dihydroxy-2,2,8,8-tetramethyl-6-(2Smethylbuta
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Mol. Formula:
C21H26O6
M.W.:
374.43
Type:
Unknown
AlogP:
3.52
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4538649 Name:
N-(6-(3-(2-(2-Chloro-3-(trifluoromethyl)phenyl)ace
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Mol. Formula:
C26H18ClF4N3O3S
M.W.:
563.96
Type:
Unknown
AlogP:
7.43
Polar Surface Area:
80.32
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4538518 Name:
1-(5,9-dihydroxy-2,2,8,8-tetramethyl-9,10-dihydro-
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Mol. Formula:
C20H26O5
M.W.:
346.42
Type:
Unknown
AlogP:
3.49
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4537807 Name:
N-(6-(4-Fluoro-3-(3-(trifluoromethyl)phenylsulfona
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Mol. Formula:
C24H17F4N3O4S2
M.W.:
551.54
Type:
Unknown
AlogP:
6.40
Polar Surface Area:
97.39
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
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