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ALA5286270 Name:
3-amino-9-bromo-2-(4-methoxybenzoyl)-4-phenyl-chro
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Mol. Formula:
C26H17BrN2O4
M.W.:
501.34
Type:
---
AlogP:
5.59
Polar Surface Area:
95.42
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA5276958 Name:
3-amino-2-(4-methoxybenzoyl)-4-phenyl-chromeno[4,3
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Mol. Formula:
C26H18N2O4
M.W.:
422.44
Type:
---
AlogP:
4.83
Polar Surface Area:
95.42
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5275627 Name:
N-((8S,11S,14S)-3-(2-amino-2-oxoethyl)-8,9,11,12,1
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Mol. Formula:
C107H131N25O13
M.W.:
1975.39
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5271458 Name:
N-((4S,7S,10S)-12-(2-((2-amino-2-oxoethyl)(3-azido
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Mol. Formula:
C96H123N25O12
M.W.:
1819.20
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1710639 Name:
SID26665285
Cas Number:
59851-15-9
Mol. Formula:
C11H14N2O3S
M.W.:
254.31
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
67.43
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA1611195 Name:
SID49714184
Mol. Formula:
C17H22N4O3S2
M.W.:
394.52
Type:
Small molecule
AlogP:
2.10
Polar Surface Area:
83.47
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1584797 Name:
SID49729236
Mol. Formula:
C13H11N3OS
M.W.:
257.32
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
69.80
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
ALA1583861 Name:
SID3712421
Mol. Formula:
C21H18N2O7
M.W.:
410.38
Type:
Small molecule
AlogP:
1.53
Polar Surface Area:
110.27
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA1575773 Name:
SID49827851
Mol. Formula:
C21H18FN3O4
M.W.:
395.39
Type:
Small molecule
AlogP:
2.32
Polar Surface Area:
86.79
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA1563064 Name:
SID14727495
Cas Number:
113226-20-3
Mol. Formula:
C10H8ClNO
M.W.:
193.63
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
33.12
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.70
DETAILS
CLOSE
ALA1561845 Name:
SID7971707
Cas Number:
852171-41-6
Mol. Formula:
C19H17FN4O4S
M.W.:
416.43
Type:
Small molecule
AlogP:
1.47
Polar Surface Area:
103.92
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA1550815 Name:
SID14718969
Cas Number:
360044-95-7
Mol. Formula:
C12H15NO
M.W.:
189.26
Type:
Small molecule
AlogP:
2.43
Polar Surface Area:
20.31
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.66
DETAILS
CLOSE
ALA1548677 Name:
SID26671634
Cas Number:
123708-43-0
Mol. Formula:
C13H11N3O2S2
M.W.:
305.38
Type:
Small molecule
AlogP:
2.17
Polar Surface Area:
71.95
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1544008 Name:
SID49816152
Mol. Formula:
C18H20N2O6S2
M.W.:
424.50
Type:
Small molecule
AlogP:
1.38
Polar Surface Area:
101.06
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1536964 Name:
SID24797284
Cas Number:
696625-88-4
Mol. Formula:
C12H16N2O6S2
M.W.:
348.40
Type:
Small molecule
AlogP:
0.79
Polar Surface Area:
114.66
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA1533160 Name:
SID49823393
Cas Number:
697257-14-0
Mol. Formula:
C12H13N3O5S
M.W.:
311.32
Type:
Small molecule
AlogP:
0.71
Polar Surface Area:
113.60
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA1505309 Name:
SID49680568
Mol. Formula:
C17H17N3O5
M.W.:
343.34
Type:
Small molecule
AlogP:
1.17
Polar Surface Area:
121.57
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1505001 Name:
SID49715083
Mol. Formula:
C19H20N4O3S2
M.W.:
416.53
Type:
Small molecule
AlogP:
2.20
Polar Surface Area:
92.26
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1500329 Name:
SID49821734
Mol. Formula:
C18H26N4O5
M.W.:
378.43
Type:
Small molecule
AlogP:
0.88
Polar Surface Area:
97.18
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA1496433 Name:
SID49674923
Cas Number:
548775-49-1
Mol. Formula:
C14H14N4O5
M.W.:
318.29
Type:
Small molecule
AlogP:
1.76
Polar Surface Area:
116.36
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
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