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ALA4476722 Name:
(20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
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Mol. Formula:
C45H62Br2O6
M.W.:
858.79
Type:
Unknown
AlogP:
11.60
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4475083 Name:
(20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
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Mol. Formula:
C45H62I2O6
M.W.:
952.79
Type:
Unknown
AlogP:
11.29
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4539962 Name:
(20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
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Mol. Formula:
C45H60Cl2I2O6
M.W.:
1021.68
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4539651 Name:
21-Deoxybafilomycin A2
Mol. Formula:
C36H60O8
M.W.:
620.87
Type:
Unknown
AlogP:
6.38
Polar Surface Area:
103.68
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4538700 Name:
(1beta,4beta,4abeta,7alpha,8aalpha)-4,8a-dimethylo
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Mol. Formula:
C12H22O3
M.W.:
214.31
Type:
Unknown
AlogP:
1.06
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4559181 Name:
(20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
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Mol. Formula:
C45H60F4O6
M.W.:
772.96
Type:
Unknown
AlogP:
10.64
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4555972 Name:
Carbamic acid(8S,9S,12S,13R,14S,16S,17S)-13,22-dih
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Mol. Formula:
C35H48N2O8
M.W.:
624.78
Type:
Unknown
AlogP:
5.67
Polar Surface Area:
149.57
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4555030 Name:
(20R)-25-methoxy-dammarane-12beta, 20-diol-3beta-y
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Mol. Formula:
C38H59NO7
M.W.:
641.89
Type:
Unknown
AlogP:
8.12
Polar Surface Area:
119.13
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4553693 Name:
(20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
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Mol. Formula:
C49H66Cl2O6
M.W.:
821.97
Type:
Unknown
AlogP:
12.18
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4569883 Name:
epicubenol
Cas Number:
81939-29-9
Mol. Formula:
C15H26O
M.W.:
222.37
Type:
Unknown
AlogP:
3.78
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4568066 Name:
Ustiloxin B
Mol. Formula:
C26H39N5O12S
M.W.:
645.69
Type:
Unknown
AlogP:
-2.96
Polar Surface Area:
292.93
HBA:
12
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4528258 Name:
Carbamic acid(8S,9S,12S,13R,14S,16S,17S)-22-hydrox
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Mol. Formula:
C36H50N2O8
M.W.:
638.80
Type:
Unknown
AlogP:
6.33
Polar Surface Area:
138.57
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4527168 Name:
(20R)-25-methoxy-dammarane-3beta,20-diol-12beta-yl
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Mol. Formula:
C39H62O5
M.W.:
610.92
Type:
Unknown
AlogP:
8.52
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4546560 Name:
Eudesmanomolide
Mol. Formula:
C19H24O7
M.W.:
364.39
Type:
Unknown
AlogP:
1.79
Polar Surface Area:
99.13
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4582826 Name:
1(10)E,5E-germacradiene-3,11-diol
Mol. Formula:
C15H26O2
M.W.:
238.37
Type:
Unknown
AlogP:
3.06
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5282494 Name:
5-(3-hydroxypropyl)-9-(1H-indol-3-yl)benzo[de]imid
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Mol. Formula:
C24H18N4O3
M.W.:
410.43
Type:
---
AlogP:
3.84
Polar Surface Area:
102.08
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5278160 Name:
5-(2-(diethylamino)ethyl)-9-(1H-indol-3-yl)benzo[d
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Mol. Formula:
C27H25N5O2
M.W.:
451.53
Type:
---
AlogP:
4.80
Polar Surface Area:
85.09
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4798681 Name:
Triptolidenol
Cas Number:
99694-86-7
Mol. Formula:
C20H24O7
M.W.:
376.41
Type:
Unknown
AlogP:
0.22
Polar Surface Area:
104.35
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5286180 Name:
5-(2-(dimethylamino)ethyl)-9-(1H-indol-3-yl)benzo[
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Mol. Formula:
C25H21N5O2
M.W.:
423.48
Type:
---
AlogP:
4.02
Polar Surface Area:
85.09
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5290745 Name:
9-(1H-indol-3-yl)-5-(octylamino)benzo[de]imidazo[4
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Mol. Formula:
C29H29N5O2
M.W.:
479.58
Type:
---
AlogP:
6.33
Polar Surface Area:
93.88
HBA:
4
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
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