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ALA4539020 Name:
(R)-Tetrahydrofuran-3-yl((2S,3R)-1-((1s,3R)-Adaman
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Mol. Formula:
C30H46N2O7S
M.W.:
578.77
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
114.40
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4516606 Name:
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl((2S,3R
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Mol. Formula:
C32H48N2O8S
M.W.:
620.81
Type:
Unknown
AlogP:
4.17
Polar Surface Area:
123.63
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4515537 Name:
(+/-)-N-(1-(1-(4-cyanophenyl)-6,6-dimethyl-4-oxo-4
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Mol. Formula:
C25H24N4O2
M.W.:
412.49
Type:
Unknown
AlogP:
4.39
Polar Surface Area:
87.78
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4745346 Name:
Daphneodorin H; 3-O-(2E,4E,6E)-decatrienoyl-20-O-b
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Mol. Formula:
C37H48O10
M.W.:
652.78
Type:
Unknown
AlogP:
3.18
Polar Surface Area:
162.98
HBA:
10
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4745109 Name:
NA
Mol. Formula:
C19H22N2O5S2
M.W.:
422.53
Type:
Unknown
AlogP:
-0.04
Polar Surface Area:
98.15
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4776317 Name:
Daphneodorin G; 12-O-(E)-cinnamoyl-14-O-(2E,4E)-de
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Mol. Formula:
C39H48O11
M.W.:
692.80
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
183.35
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4764098 Name:
NA
Mol. Formula:
C19H22N2O5S2
M.W.:
422.53
Type:
Unknown
AlogP:
-0.33
Polar Surface Area:
101.31
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4757398 Name:
NA
Mol. Formula:
C19H20N2O5S2
M.W.:
420.51
Type:
Unknown
AlogP:
-0.12
Polar Surface Area:
98.15
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4581883 Name:
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl((2S,3R
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Mol. Formula:
C31H47N3O7S
M.W.:
605.80
Type:
Unknown
AlogP:
3.74
Polar Surface Area:
140.42
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4777283 Name:
12-O-(E)-cinnamoyl-9,13,14-ortho-(2E,4E,6E)-decatr
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Mol. Formula:
C39H44O10
M.W.:
672.77
Type:
Unknown
AlogP:
3.88
Polar Surface Area:
144.28
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4751848 Name:
Acutilobin C
Mol. Formula:
C40H46O12
M.W.:
718.80
Type:
Unknown
AlogP:
3.59
Polar Surface Area:
173.74
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4790982 Name:
12-O-(E)-cinnamoyl-9,13,14-ortho-(2E,4E)-decadieny
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Mol. Formula:
C39H46O10
M.W.:
674.79
Type:
Unknown
AlogP:
4.10
Polar Surface Area:
144.28
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4788129 Name:
Acutilobin D
Mol. Formula:
C40H48O12
M.W.:
720.81
Type:
Unknown
AlogP:
3.82
Polar Surface Area:
173.74
HBA:
12
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4857443 Name:
Nicansteroidin D; 15alpha-acetoxy-16beta,17beta-ep
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Mol. Formula:
C30H38O10
M.W.:
558.62
Type:
Unknown
AlogP:
2.10
Polar Surface Area:
141.12
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4856947 Name:
Nicansteroidin A; 15alpha-acetoxy-5beta,6beta-epox
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Mol. Formula:
C30H40O9
M.W.:
544.64
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
142.89
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4856616 Name:
Physagulin A
Mol. Formula:
C30H38O7
M.W.:
510.63
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
102.43
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4847049 Name:
Nicansteroidin C; 15alpha-acetoxy-6beta,14beta-dih
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Mol. Formula:
C30H38O9
M.W.:
542.63
Type:
Unknown
AlogP:
2.89
Polar Surface Area:
128.59
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5281403 Name:
Oxepeucedanin methanolate
Mol. Formula:
C17H18O6
M.W.:
318.33
Type:
---
AlogP:
2.70
Polar Surface Area:
82.04
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5278306 Name:
3-(4-(methylthio)phenyl)-2H-chromen-2-one
Mol. Formula:
C16H12O2S
M.W.:
268.34
Type:
---
AlogP:
4.18
Polar Surface Area:
30.21
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4797613 Name:
Daphneodorin D; 12-O-(E)-coumaroyl-9,13,14-ortho-(
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Mol. Formula:
C39H46O11
M.W.:
690.79
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
164.51
HBA:
11
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
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