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ALA4514631 Name:
Ethyl 2-((3-(5-allyl-2-methoxyphenyl)isoxazol-5-yl
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Mol. Formula:
C18H21NO5
M.W.:
331.37
Type:
Unknown
AlogP:
3.16
Polar Surface Area:
70.79
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4476765 Name:
Monbarbatain A
Cas Number:
138711-55-4
Mol. Formula:
C30H22O6
M.W.:
478.50
Type:
Unknown
AlogP:
6.81
Polar Surface Area:
99.38
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4476753 Name:
3-(3,5-Bis(trifluoromethyl)benzyl)-5-phenyl-1-oxa-
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Mol. Formula:
C24H17F6NO3
M.W.:
481.39
Type:
Unknown
AlogP:
5.34
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4476683 Name:
(aS)-4,8,4',8'-tetramethoxy-(1,1'-biphenanthrene)-
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Mol. Formula:
C32H26O8
M.W.:
538.55
Type:
Unknown
AlogP:
6.82
Polar Surface Area:
117.84
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4476174 Name:
Polycycloiridal N
Mol. Formula:
C30H44O5
M.W.:
484.68
Type:
Unknown
AlogP:
5.43
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4475333 Name:
5-((Allyloxy)methyl)-3-(5-bromo-2-methoxyphenyl)is
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Mol. Formula:
C14H14BrNO3
M.W.:
324.17
Type:
Unknown
AlogP:
3.82
Polar Surface Area:
44.49
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4475260 Name:
ent-3-oxokaurane-16alpha,17-diol
Mol. Formula:
C20H32O3
M.W.:
320.47
Type:
Unknown
AlogP:
3.32
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4540075 Name:
3,12-diacetyl-7-hydroxy-8-methoxyingol
Mol. Formula:
C25H36O8
M.W.:
464.56
Type:
Unknown
AlogP:
2.21
Polar Surface Area:
111.66
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4539185 Name:
Antiquorpene H
Mol. Formula:
C23H36O5
M.W.:
392.54
Type:
Unknown
AlogP:
3.25
Polar Surface Area:
83.83
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4539021 Name:
4-propyl-2-(1-propyl-1H-pyrazol-3-yl)phenol
Mol. Formula:
C15H20N2O
M.W.:
244.34
Type:
Unknown
AlogP:
3.62
Polar Surface Area:
38.05
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4537867 Name:
Antiquorpene A
Mol. Formula:
C20H30O2
M.W.:
302.46
Type:
Unknown
AlogP:
4.13
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4525287 Name:
3-(4-Bromobenzyl)-5-phenyl-1-oxa-5-azaspiro[5.5]un
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Mol. Formula:
C22H18BrNO3
M.W.:
424.29
Type:
Unknown
AlogP:
4.06
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4524445 Name:
6-methoxy-2-(6-(6-methoxy-1H-benzo[d]imidazol-2-yl
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Mol. Formula:
C23H22N4O2
M.W.:
386.46
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
63.27
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4522358 Name:
3-((3aR,5aS,6R,7R,9aR)-7-hydroxy-6-(hydroxymethyl)
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Mol. Formula:
C20H30O5
M.W.:
350.46
Type:
Unknown
AlogP:
2.20
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4522104 Name:
6-methoxy-2-(3-(6-methoxy-1H-benzo[d]imidazol-2-yl
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Mol. Formula:
C24H23N3O2
M.W.:
385.47
Type:
Unknown
AlogP:
4.81
Polar Surface Area:
50.38
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4520625 Name:
(4R,5R,8S,9R,10R,12S,16S)-ent-16alpha,17-Dihydroxy
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Mol. Formula:
C19H30O3
M.W.:
306.45
Type:
Unknown
AlogP:
2.93
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4535258 Name:
Antiquorpene F
Mol. Formula:
C24H34O5
M.W.:
402.53
Type:
Unknown
AlogP:
3.63
Polar Surface Area:
80.67
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4535194 Name:
5-Phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,
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Mol. Formula:
C15H13NO3
M.W.:
255.27
Type:
Unknown
AlogP:
1.83
Polar Surface Area:
46.61
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.77
DETAILS
CLOSE
ALA4534305 Name:
Antiquorpene G
Mol. Formula:
C25H34O5
M.W.:
414.54
Type:
Unknown
AlogP:
3.79
Polar Surface Area:
80.67
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4533772 Name:
3-(2-((4-isothiocyanatobutyl)thio)acetamido)phenyl
Show More⌵
Mol. Formula:
C17H23N3O3S2
M.W.:
381.52
Type:
Unknown
AlogP:
3.69
Polar Surface Area:
71.00
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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