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ALA4474866 Name:
Ethyl 2-methyl-6-(pyrrolidin-1-yl)furo[2,3-b]pyrid
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Mol. Formula:
C15H18N2O3
M.W.:
274.32
Type:
Unknown
AlogP:
2.91
Polar Surface Area:
55.57
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4525344 Name:
Ethyl 2-methyl-5-(pyrrolidin-1-yl)furo[2,3-b]pyrid
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Mol. Formula:
C15H18N2O3
M.W.:
274.32
Type:
Unknown
AlogP:
2.91
Polar Surface Area:
55.57
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4518865 Name:
2-isopropyl-N-methyl-6-(pyrrolidin-1-yl)furo[2,3-b
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Mol. Formula:
C16H21N3O2
M.W.:
287.36
Type:
Unknown
AlogP:
2.91
Polar Surface Area:
58.37
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA4742719 Name:
bis[[(4aS,8aS)-4-[2-(3-furyl)ethyl]-3,4a,8,8-tetra
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Mol. Formula:
C48H60N2O6
M.W.:
761.02
Type:
Unknown
AlogP:
12.27
Polar Surface Area:
103.60
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4761434 Name:
(4aS,8aS)-4-(2-(furan-3-yl)ethyl)-3,4a,8,8-tetrame
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Mol. Formula:
C27H35NO4S
M.W.:
469.65
Type:
Unknown
AlogP:
6.83
Polar Surface Area:
68.87
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4759621 Name:
(4aS,8aS)-4-(2-(furan-3-yl)ethyl)-3,4a,8,8-tetrame
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Mol. Formula:
C32H51NO3
M.W.:
497.76
Type:
Unknown
AlogP:
9.59
Polar Surface Area:
51.80
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4759220 Name:
3-(2-((3S,4aS,8aS)-3-methoxy-2,5,5,8a-tetramethyl-
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Mol. Formula:
C21H32O2
M.W.:
316.49
Type:
Unknown
AlogP:
5.78
Polar Surface Area:
22.37
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4757310 Name:
(4aS,8aS)-4-(2-(furan-3-yl)ethyl)-3,4a,8,8-tetrame
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Mol. Formula:
C22H31NO3
M.W.:
357.49
Type:
Unknown
AlogP:
5.68
Polar Surface Area:
51.80
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4581808 Name:
2-methyl-6-(pyrrolidin-1-yl)furo[2,3-b]pyridine-3-
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Mol. Formula:
C13H14N2O3
M.W.:
246.27
Type:
Unknown
AlogP:
2.43
Polar Surface Area:
66.57
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4778133 Name:
4-((((4aS,8aS)-4-(2-(furan-3-yl)ethyl)-3,4a,8,8-te
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Mol. Formula:
C28H33NO5
M.W.:
463.57
Type:
Unknown
AlogP:
6.68
Polar Surface Area:
89.10
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4777191 Name:
(4aS,8aS)-4-(2-(furan-3-yl)ethyl)-3,4a,8,8-tetrame
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Mol. Formula:
C20H31NO
M.W.:
301.47
Type:
Unknown
AlogP:
5.09
Polar Surface Area:
39.16
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4782833 Name:
Callicarpin F
Mol. Formula:
C21H32O7
M.W.:
396.48
Type:
Unknown
AlogP:
1.54
Polar Surface Area:
113.29
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4782499 Name:
3alpha,12,16Xi-trihydroxy-4-oxo-3(4->18)-abeo-ent-
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Mol. Formula:
C20H30O6
M.W.:
366.45
Type:
Unknown
AlogP:
1.71
Polar Surface Area:
104.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4753179 Name:
Dehydrohispanolone
Cas Number:
82462-67-7
Mol. Formula:
C20H28O2
M.W.:
300.44
Type:
Unknown
AlogP:
5.33
Polar Surface Area:
30.21
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4751967 Name:
Callicarpin D
Mol. Formula:
C24H34O8
M.W.:
450.53
Type:
Unknown
AlogP:
2.85
Polar Surface Area:
116.20
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4751601 Name:
5-hydroxy-4-((S)-1-hydroxy-2-((1S,2R,4aR,8aR)-1,2,
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Mol. Formula:
C20H30O4
M.W.:
334.46
Type:
Unknown
AlogP:
3.34
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4795930 Name:
(4aS,8aS)-4-(2-(furan-3-yl)ethyl)-3,4a,8,8-tetrame
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Mol. Formula:
C27H32BrNO3
M.W.:
498.46
Type:
Unknown
AlogP:
7.74
Polar Surface Area:
51.80
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4795801 Name:
Callicarpin E
Mol. Formula:
C20H30O7
M.W.:
382.45
Type:
Unknown
AlogP:
1.45
Polar Surface Area:
124.29
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4791715 Name:
(4aS,8aS)-3,4a,8,8-tetramethyl-4-(2-(tetrahydrofur
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Mol. Formula:
C20H32O2
M.W.:
304.47
Type:
Unknown
AlogP:
4.93
Polar Surface Area:
26.30
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
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