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ALA4548800 Name:
5-chloro-2-methoxy-N-(2-phenylbenzo[d]oxazol-5-yl)
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Mol. Formula:
C20H15ClN2O4S
M.W.:
414.87
Type:
Unknown
AlogP:
4.96
Polar Surface Area:
81.43
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4548710 Name:
N-(4-(5-(4-bromophenylsulfonamido)benzo[d]oxazol-2
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Mol. Formula:
C23H15BrClN3O5S3
M.W.:
624.95
Type:
Unknown
AlogP:
6.57
Polar Surface Area:
118.37
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4547546 Name:
5-chloro-N-(2-(4-(4-fluoro-3-(trifluoromethyl)phen
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Mol. Formula:
C24H14ClF4N3O5S3
M.W.:
632.04
Type:
Unknown
AlogP:
6.97
Polar Surface Area:
118.37
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4550515 Name:
(3aS,11S,11aR)-5,10,11-trihydroxy-7-methoxy-3a-met
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Mol. Formula:
C17H14O9
M.W.:
362.29
Type:
Unknown
AlogP:
0.89
Polar Surface Area:
139.59
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4550481 Name:
Ophiobolin Q
Mol. Formula:
C25H36O4
M.W.:
400.56
Type:
Unknown
AlogP:
4.02
Polar Surface Area:
74.60
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4549691 Name:
2-chloro-N-(2-phenylbenzo[d]oxazol-5-yl)benzenesul
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Mol. Formula:
C19H13ClN2O3S
M.W.:
384.84
Type:
Unknown
AlogP:
4.95
Polar Surface Area:
72.20
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4524904 Name:
(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(4-((5-(3-chl
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Mol. Formula:
C35H38ClN5O13
M.W.:
772.16
Type:
Unknown
AlogP:
2.46
Polar Surface Area:
215.56
HBA:
18
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4556062 Name:
4-chloro-3-nitro-N-(2-phenylbenzo[d]oxazol-5-yl)be
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Mol. Formula:
C19H12ClN3O5S
M.W.:
429.84
Type:
Unknown
AlogP:
4.86
Polar Surface Area:
115.34
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4560413 Name:
(1R,3R,3aS,6aS,7R,9aR,10aS)-7-((S)-1,5-Dimethyl-he
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Mol. Formula:
C25H38O3
M.W.:
386.58
Type:
Unknown
AlogP:
4.84
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4559209 Name:
N-(4-(benzo[d]oxazol-2-yl)phenyl)-2-methoxybenzene
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Mol. Formula:
C20H16N2O4S
M.W.:
380.43
Type:
Unknown
AlogP:
4.30
Polar Surface Area:
81.43
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4558646 Name:
N-(4-(benzo[d]oxazol-2-yl)phenyl)-4-methoxybenzene
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Mol. Formula:
C20H16N2O4S
M.W.:
380.43
Type:
Unknown
AlogP:
4.30
Polar Surface Area:
81.43
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4538816 Name:
(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(4-((6-(ethox
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Mol. Formula:
C35H39N5O14
M.W.:
753.72
Type:
Unknown
AlogP:
1.51
Polar Surface Area:
235.79
HBA:
19
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4533662 Name:
5-chloro-N-(4-(5-(methylsulfonamido)benzo[d]oxazol
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Mol. Formula:
C18H14ClN3O5S3
M.W.:
483.98
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
118.37
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4533148 Name:
5-chloro-N-(4-(5-(4-vinylphenylsulfonamido)benzo[d
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Mol. Formula:
C25H18ClN3O5S3
M.W.:
572.09
Type:
Unknown
AlogP:
6.45
Polar Surface Area:
118.37
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4532359 Name:
N-(4-(benzo[d]oxazol-2-yl)phenyl)-4-ethylbenzenesu
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Mol. Formula:
C21H18N2O3S
M.W.:
378.45
Type:
Unknown
AlogP:
4.86
Polar Surface Area:
72.20
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4531772 Name:
5-chloro-N-(2-(4-(4-methoxyphenylsulfonamido)pheny
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Mol. Formula:
C24H18ClN3O6S3
M.W.:
576.08
Type:
Unknown
AlogP:
5.82
Polar Surface Area:
127.60
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4531689 Name:
5-chloro-N-(4-(5-(naphthalene-2-sulfonamido)benzo[
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Mol. Formula:
C27H18ClN3O5S3
M.W.:
596.11
Type:
Unknown
AlogP:
6.96
Polar Surface Area:
118.37
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4531368 Name:
(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(4-((5-(3-eth
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Mol. Formula:
C37H43N5O15
M.W.:
797.77
Type:
Unknown
AlogP:
1.91
Polar Surface Area:
245.02
HBA:
20
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4531228 Name:
5-chloro-N-(4-(5-(4-fluoro-3-(trifluoromethyl)phen
Show More⌵
Mol. Formula:
C24H14ClF4N3O5S3
M.W.:
632.04
Type:
Unknown
AlogP:
6.97
Polar Surface Area:
118.37
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4526980 Name:
Ophiobolin H
Mol. Formula:
C25H38O3
M.W.:
386.58
Type:
Unknown
AlogP:
5.00
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
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