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Compounds 2,431,025 items
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ALA4514751 Name:
C10322546
Mol. Formula:
C11H15F3N4O2
M.W.:
292.26
Type:
Unknown
AlogP:
0.82
Polar Surface Area:
81.34
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4514750 Name:
4-(4-Chlorophenylcarbamoyl)-2-(4-(5,6-dichloro-1H-
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Mol. Formula:
C28H17Cl3N4O4
M.W.:
579.83
Type:
Unknown
AlogP:
7.39
Polar Surface Area:
124.18
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4514749 Name:
4-ethyl-1-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H
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Mol. Formula:
C20H24N6O2
M.W.:
380.45
Type:
Unknown
AlogP:
1.91
Polar Surface Area:
107.67
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4514748 Name:
(E)-3-(2-(((3-(1-Benzylpiperidin-4-yl)-1,2,4-oxadi
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Mol. Formula:
C23H27N7O3
M.W.:
449.52
Type:
Unknown
AlogP:
2.39
Polar Surface Area:
120.51
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4514747 Name:
(3S,4R,6S)-4-(4-chlorobenzylthio)-1-tosyl-6-(3,4,5
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Mol. Formula:
C29H32ClNO7S2
M.W.:
606.16
Type:
Unknown
AlogP:
5.81
Polar Surface Area:
102.37
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4514746 Name:
3-(1-(4-(4-bromophenyl)thiazol-2-yl)-3-methyl-1H-p
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Mol. Formula:
C22H14BrN3O2S
M.W.:
464.34
Type:
Unknown
AlogP:
5.84
Polar Surface Area:
60.92
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4514745 Name:
Ethyl (E)-2-(2-(difluoromethoxy)-5-(2-nitrovinyl)p
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Mol. Formula:
C15H17F2NO6
M.W.:
345.30
Type:
Unknown
AlogP:
3.26
Polar Surface Area:
87.90
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4514744 Name:
C10317202
Mol. Formula:
C11H15BrN2O
M.W.:
271.16
Type:
Unknown
AlogP:
1.67
Polar Surface Area:
41.13
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4514743 Name:
N-(1-cyanopyrrolidin-3-yl)-6-(4-(pyridin-4-yl)pipe
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Mol. Formula:
C21H24N6O
M.W.:
376.46
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
85.15
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4514742 Name:
1-[4-(6,7-Dimethoxyquinolin-4-yloxy)-3-fluoropheny
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Mol. Formula:
C26H21F4N3O6S
M.W.:
579.53
Type:
Unknown
AlogP:
5.85
Polar Surface Area:
115.85
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4514741 Name:
C10316382
Mol. Formula:
C13H16ClN5
M.W.:
277.76
Type:
Unknown
AlogP:
1.73
Polar Surface Area:
46.84
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA4514740 Name:
MMV1263282
Mol. Formula:
C22H26N2O3
M.W.:
366.46
Type:
Unknown
AlogP:
4.50
Polar Surface Area:
67.43
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4514739 Name:
sodium (S)-6-(2-chloro-4-methylphenylamino)-4-(4'-
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Mol. Formula:
C26H29ClN3NaO5
M.W.:
521.98
Type:
Unknown
AlogP:
6.34
Polar Surface Area:
118.46
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4514738 Name:
pregnane-3beta,5alpha,6beta,8beta,12beta,14beta,17
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Mol. Formula:
C32H44O9
M.W.:
572.70
Type:
Unknown
AlogP:
1.61
Polar Surface Area:
167.91
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4514737 Name:
5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-
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Mol. Formula:
C24H22FN3O3
M.W.:
419.46
Type:
Unknown
AlogP:
2.87
Polar Surface Area:
77.12
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4514736 Name:
C0226169
Cas Number:
1251586-97-6
Mol. Formula:
C22H21ClN4O2S
M.W.:
440.96
Type:
Unknown
AlogP:
4.65
Polar Surface Area:
67.57
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4514735 Name:
NA
Mol. Formula:
C39H48N2O7
M.W.:
656.82
Type:
Unknown
AlogP:
6.49
Polar Surface Area:
113.79
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4514734 Name:
Epicatechin-(4beta->8)-ent-epicatechin
Cas Number:
82262-99-5
Mol. Formula:
C30H26O12
M.W.:
578.53
Type:
Unknown
AlogP:
3.00
Polar Surface Area:
220.76
HBA:
12
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4514733 Name:
MMV1124225
Mol. Formula:
C17H20N4O2
M.W.:
312.37
Type:
Unknown
AlogP:
3.24
Polar Surface Area:
60.68
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4514732 Name:
(S)-2-(2-(carboxymethoxy)-4-(5-((((R)-2-((R)-1-(N-
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Mol. Formula:
C40H48N4O14
M.W.:
808.84
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
268.18
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
24
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
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