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ALA4514244 Name:
5-(2,3-dichlorophenylthio)-3H-imidazo[4,5-b]pyridi
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Mol. Formula:
C12H8Cl2N4S
M.W.:
311.20
Type:
Unknown
AlogP:
4.00
Polar Surface Area:
67.59
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4476728 Name:
(Z)-2-(5-((6-(4-Methylbenzyloxy)naphthalen-2-yl)me
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Mol. Formula:
C33H26N2O4S2
M.W.:
578.72
Type:
Unknown
AlogP:
7.11
Polar Surface Area:
82.63
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4475081 Name:
(3S,4S)-8-(7-(2,3-dichlorophenyl)-5H-pyrrolo[2,3-b
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Mol. Formula:
C21H23Cl2N5O
M.W.:
432.36
Type:
Unknown
AlogP:
4.26
Polar Surface Area:
80.06
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4475043 Name:
(3S,4S)-8-(3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-
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Mol. Formula:
C20H22Cl2N6O
M.W.:
433.34
Type:
Unknown
AlogP:
3.66
Polar Surface Area:
92.95
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4474212 Name:
Methyl 2-Fluoro-3,4,6-trihydroxy-5-oxo-5H-benzo[7]
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Mol. Formula:
C13H9FO6
M.W.:
280.21
Type:
Unknown
AlogP:
1.24
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4540461 Name:
3-(4-Amino-4-methylpiperidin-1-yl)-6-(2,3-dichloro
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Mol. Formula:
C15H18Cl2N6
M.W.:
353.26
Type:
Unknown
AlogP:
2.75
Polar Surface Area:
93.95
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4539178 Name:
3-(2-amino-3-chloropyridin-4-yl)-6-((3S,4S)-4-amin
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Mol. Formula:
C20H25ClN8O2
M.W.:
444.93
Type:
Unknown
AlogP:
1.29
Polar Surface Area:
140.97
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4539145 Name:
6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-(2,3-
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Mol. Formula:
C19H22Cl2N6O
M.W.:
421.33
Type:
Unknown
AlogP:
3.20
Polar Surface Area:
92.83
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4537504 Name:
6-amino-2-((1S,2S,3R)-1-amino-2-fluoro-3-methyl-8-
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Mol. Formula:
C21H26F4N6OS
M.W.:
486.54
Type:
Unknown
AlogP:
3.22
Polar Surface Area:
103.06
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4536642 Name:
1-(4-(allyloxy)-2-hydroxy-5-(piperidin-1-ylmethyl)
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Mol. Formula:
C24H25Cl2NO3
M.W.:
446.37
Type:
Unknown
AlogP:
6.15
Polar Surface Area:
49.77
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4522045 Name:
Cinerol D
Mol. Formula:
C23H31NO2
M.W.:
353.51
Type:
Unknown
AlogP:
6.18
Polar Surface Area:
46.26
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4531137 Name:
2-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]d
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Mol. Formula:
C20H24F3N5O2S
M.W.:
455.51
Type:
Unknown
AlogP:
2.68
Polar Surface Area:
86.27
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4558595 Name:
Cinerol I
Mol. Formula:
C26H33NO2
M.W.:
391.56
Type:
Unknown
AlogP:
6.34
Polar Surface Area:
42.23
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4558200 Name:
5-(3,4-Dimethylphenyl)-2-(cis-3,5-dimethylpiperazi
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Mol. Formula:
C18H25N5
M.W.:
311.43
Type:
Unknown
AlogP:
2.53
Polar Surface Area:
67.07
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4570587 Name:
3-((2-amino-3-chloropyridin-4-yl)thio)-6-((3S,4S)-
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Mol. Formula:
C20H25ClN8O2S
M.W.:
476.99
Type:
Unknown
AlogP:
1.77
Polar Surface Area:
140.97
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4527772 Name:
(3S,6S,9S,12S,15S,18S,21S,24S,27S)-27-acetamido-18
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Mol. Formula:
C51H75N10O24P
M.W.:
1243.18
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4526406 Name:
Cinerol J
Mol. Formula:
C23H33NO2
M.W.:
355.52
Type:
Unknown
AlogP:
5.69
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4548850 Name:
3-(4-bromophenyl)-6-p-tolyl-1H-pyrazolo[3,4-b]pyri
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Mol. Formula:
C20H14BrN3O2
M.W.:
408.26
Type:
Unknown
AlogP:
5.06
Polar Surface Area:
78.87
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4548611 Name:
(3S,6S,9S,12S,15S,18S,21S,24S,27S)-27-acetamido-18
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Mol. Formula:
C50H73N10O24P
M.W.:
1229.15
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4548346 Name:
1-(4-(allyloxy)-2-hydroxy-5-((4-hydroxypiperidin-1
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Mol. Formula:
C24H25Cl2NO4
M.W.:
462.37
Type:
Unknown
AlogP:
5.12
Polar Surface Area:
70.00
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
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