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ALA4514377 Name:
(2S)-5-amino-2-((2S)-1-((2S)-1-((2S,5S,8S,11S,14S,
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Mol. Formula:
C87H151N37O18
M.W.:
2003.41
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4513750 Name:
Eucalypglobulusal F
Mol. Formula:
C28H38O6
M.W.:
470.61
Type:
Unknown
AlogP:
5.69
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4513587 Name:
(1R,2S,5R)-2-(hexylthio)-6,8-dioxabicyclo[3.2.1]oc
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Mol. Formula:
C12H20O3S
M.W.:
244.36
Type:
Unknown
AlogP:
2.38
Polar Surface Area:
35.53
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4483734 Name:
6-chloro-4-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxy
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Mol. Formula:
C11H14ClN3O6
M.W.:
319.70
Type:
Unknown
AlogP:
-2.00
Polar Surface Area:
147.90
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4476668 Name:
Euphorhelipane A
Mol. Formula:
C20H30O4
M.W.:
334.46
Type:
Unknown
AlogP:
2.54
Polar Surface Area:
74.60
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4475846 Name:
N'-methylbenzohydrazide
Cas Number:
1660-24-8
Mol. Formula:
C8H10N2O
M.W.:
150.18
Type:
Unknown
AlogP:
0.55
Polar Surface Area:
41.13
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.60
DETAILS
CLOSE
ALA4475484 Name:
4-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5
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Mol. Formula:
C11H15N3O6
M.W.:
285.26
Type:
Unknown
AlogP:
-2.66
Polar Surface Area:
147.90
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4474563 Name:
Isopropyl ((S)-(((2R,3R,4R,5R)-5-(3-(1-((isopropox
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Mol. Formula:
C28H39FN3O12P
M.W.:
659.60
Type:
Unknown
AlogP:
3.21
Polar Surface Area:
182.85
HBA:
14
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4474337 Name:
1-(4-(6-(diethylamino)pyridazin-3-yl)phenyl)ethano
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Mol. Formula:
C16H19N3O
M.W.:
269.35
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
46.09
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4538920 Name:
3-((1S,2S,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2
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Mol. Formula:
C13H11NO5
M.W.:
261.23
Type:
Unknown
AlogP:
0.85
Polar Surface Area:
70.67
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4537291 Name:
Isopropyl ((S)-(((2R,3R,4R,5R)-5-(3-(ethylamino)-2
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Mol. Formula:
C24H35N4O9P
M.W.:
554.54
Type:
Unknown
AlogP:
1.82
Polar Surface Area:
170.47
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4536594 Name:
Isopropyl ((S)-(((2R,3R,4R,5R)-5-(4-methoxy-2-oxop
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Mol. Formula:
C23H31FN3O9P
M.W.:
543.49
Type:
Unknown
AlogP:
2.37
Polar Surface Area:
147.44
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4524814 Name:
(E)-N-(3-(1H-Imidazol-1-yl)propyl)-2-(3,4-dimethox
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Mol. Formula:
C24H27N3O4
M.W.:
421.50
Type:
Unknown
AlogP:
3.66
Polar Surface Area:
74.61
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4524349 Name:
2-(Cyclopropylsulfonyl)chromeno[4,3-c]pyrazol-4(2H
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Mol. Formula:
C13H10N2O4S
M.W.:
290.30
Type:
Unknown
AlogP:
1.48
Polar Surface Area:
82.17
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4521846 Name:
(S)-5-amino-5-oxo-2-((S)-1-((S)-1-((6S,9S,12S,15S,
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Mol. Formula:
C68H128N34O15
M.W.:
1662.00
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4520939 Name:
Isopropyl ((S)-(((2R,3S,4R,5R)-5-(3-(ethylamino)-2
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Mol. Formula:
C24H35N4O9P
M.W.:
554.54
Type:
Unknown
AlogP:
1.82
Polar Surface Area:
170.47
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4534982 Name:
(6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S)-12-((1
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Mol. Formula:
C71H125N25O13
M.W.:
1536.94
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4533537 Name:
Isopropyl ((S)-(((2R,3R,4R,5R)-5-(3-pentyloxyformy
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Mol. Formula:
C28H39FN3O11P
M.W.:
643.60
Type:
Unknown
AlogP:
3.30
Polar Surface Area:
173.62
HBA:
13
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4533213 Name:
Isopropyl ((R)-(((2R,3R,4R,5R)-5-(3-amino-2-oxopyr
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Mol. Formula:
C22H31N4O9P
M.W.:
526.48
Type:
Unknown
AlogP:
0.97
Polar Surface Area:
184.46
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4533002 Name:
N-(5-cyano-4-((4-methoxypyridin-3-yl)amino)pyridin
Show More⌵
Mol. Formula:
C27H26N8O5
M.W.:
542.56
Type:
Unknown
AlogP:
2.65
Polar Surface Area:
162.67
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
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