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ALA5279925 Name:
1-(2-(benzyloxy)phenyl)-3-(3-chlorophenyl)urea
Mol. Formula:
C20H17ClN2O2
M.W.:
352.82
Type:
---
AlogP:
5.56
Polar Surface Area:
50.36
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5275318 Name:
ethyl (R)-1-((2,3-di(furan-2-yl)quinoxalin-6-yl)ca
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Mol. Formula:
C25H24N4O5
M.W.:
460.49
Type:
---
AlogP:
4.96
Polar Surface Area:
110.70
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5273604 Name:
(2,3-dihydro-1H-inden-1-yl)(4-methoxy-4'-(trifluor
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Mol. Formula:
C24H19F3O3
M.W.:
412.41
Type:
---
AlogP:
6.17
Polar Surface Area:
35.53
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5268140 Name:
1-(2-(benzyloxy)phenyl)-3-(4-nitrophenyl)urea
Mol. Formula:
C20H17N3O4
M.W.:
363.37
Type:
---
AlogP:
4.82
Polar Surface Area:
93.50
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5094458 Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(
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Mol. Formula:
C66H120N20O18S2
M.W.:
1545.94
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5092586 Name:
3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
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Mol. Formula:
C63H111N19O18S2
M.W.:
1486.83
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5091379 Name:
3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
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Mol. Formula:
C63H112N20O18S2
M.W.:
1501.84
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5089595 Name:
3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
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Mol. Formula:
C66H118N20O18S2
M.W.:
1543.93
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5087639 Name:
3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
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Mol. Formula:
C64H114N20O18S2
M.W.:
1515.87
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5085991 Name:
3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
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Mol. Formula:
C63H112N20O18S2
M.W.:
1501.84
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5083488 Name:
3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
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Mol. Formula:
C63H111N17O18S2
M.W.:
1458.82
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5082292 Name:
2-((4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-acet
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Mol. Formula:
C55H100N18O14S2
M.W.:
1301.65
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5081084 Name:
3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
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Mol. Formula:
C63H111N19O18S2
M.W.:
1486.83
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5081001 Name:
3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
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Mol. Formula:
C63H112N20O18S2
M.W.:
1501.84
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5080030 Name:
3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
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Mol. Formula:
C63H111N19O18S2
M.W.:
1486.83
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4090107 Name:
(13E,15E)-(3S,6S,9R,10R,11S,12S,21S)-3-(3-Hydroxy-
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Mol. Formula:
C34H50N4O8
M.W.:
642.79
Type:
Small molecule
AlogP:
2.42
Polar Surface Area:
155.53
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
Type:
Unknown
AlogP:
0.24
Polar Surface Area:
20.31
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.43
DETAILS
CLOSE
ALA4175329 Name:
(2'R,3'S,7'S,10'S,E)-10'-Isopropyl-2',7'-dimethyl-
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Mol. Formula:
C32H41N5O7S
M.W.:
639.78
Type:
Small molecule
AlogP:
2.20
Polar Surface Area:
163.87
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4174251 Name:
(5(3)S,2R,7S,10S,E)-10-Isopropyl-2,7-dimethyl-5(1)
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Mol. Formula:
C28H35N5O5
M.W.:
521.62
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
129.73
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4173859 Name:
(5(3)S,2R,7S,10S,13R,14R,E)-10-Isopropyl-14-methox
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Mol. Formula:
C31H41N5O6
M.W.:
579.70
Type:
Small molecule
AlogP:
2.66
Polar Surface Area:
138.96
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
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