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ALA4514738 Name:
pregnane-3beta,5alpha,6beta,8beta,12beta,14beta,17
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Mol. Formula:
C32H44O9
M.W.:
572.70
Type:
Unknown
AlogP:
1.61
Polar Surface Area:
167.91
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4514288 Name:
3,4-Dihydro-3'-(4-isopropylphenylsulfonyl)spiro[im
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Mol. Formula:
C21H22N2O4S
M.W.:
398.48
Type:
Unknown
AlogP:
3.28
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4474168 Name:
3,4-Dihydro-1'-(4-methylphenylsulfonyl)spiro[imida
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Mol. Formula:
C19H18N2O4S
M.W.:
370.43
Type:
Unknown
AlogP:
2.47
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4539238 Name:
3,4-Dihydro-1'-(4-acetylphenylsulfonyl)spiro[imida
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Mol. Formula:
C20H18N2O5S
M.W.:
398.44
Type:
Unknown
AlogP:
2.36
Polar Surface Area:
100.62
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4520640 Name:
3,4-Dihydro-1'-(4-nitrophenylsulfonyl)spiro[imidaz
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Mol. Formula:
C18H15N3O6S
M.W.:
401.40
Type:
Unknown
AlogP:
2.07
Polar Surface Area:
126.69
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4532536 Name:
3,4-Dihydro-3'-(4-methylphenylsulfonyl)spiro[imida
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Mol. Formula:
C19H18N2O4S
M.W.:
370.43
Type:
Unknown
AlogP:
2.47
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4560452 Name:
3,4-Dihydro-3'-(4-methoxyphenylsulfonyl)spiro[imid
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Mol. Formula:
C19H18N2O5S
M.W.:
386.43
Type:
Unknown
AlogP:
2.17
Polar Surface Area:
92.78
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4515034 Name:
3,4-Dihydro-3'-(4-nitrophenylsulfonyl)spiro[imidaz
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Mol. Formula:
C18H15N3O6S
M.W.:
401.40
Type:
Unknown
AlogP:
2.07
Polar Surface Area:
126.69
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4580334 Name:
pregnane-3beta,5alpha,6beta,8beta,12beta,14beta,17
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Mol. Formula:
C38H54O12
M.W.:
702.84
Type:
Unknown
AlogP:
1.49
Polar Surface Area:
206.60
HBA:
12
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4578754 Name:
3,4-Dihydro-3'-(4-bromophenylsulfonyl)spiro[imidaz
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Mol. Formula:
C18H15BrN2O4S
M.W.:
435.30
Type:
Unknown
AlogP:
2.92
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4577996 Name:
3,4-Dihydro-1'-(4-bromophenylsulfonyl)spiro[imidaz
Show More⌵
Mol. Formula:
C18H15BrN2O4S
M.W.:
435.30
Type:
Unknown
AlogP:
2.92
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4462586 Name:
3,4-Dihydro-1'-(4-chlororophenylsulfonyl)spiro[imi
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Mol. Formula:
C18H15ClN2O4S
M.W.:
390.85
Type:
Unknown
AlogP:
2.81
Polar Surface Area:
83.55
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA4098564 Name:
4-Deacetyl-4-propionyloxy-6,7-dihydrovindoline
Mol. Formula:
C26H36N2O6
M.W.:
472.58
Type:
Small molecule
AlogP:
2.26
Polar Surface Area:
88.54
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4097901 Name:
3-Demethoxycarbonyl-3-(acetylamino)methyl vindolin
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Mol. Formula:
C26H35N3O5
M.W.:
469.58
Type:
Small molecule
AlogP:
1.60
Polar Surface Area:
91.34
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4096956 Name:
3-Demethoxycarbonyl-3-(propionylamino)methyl-4-dea
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Mol. Formula:
C29H41N3O5
M.W.:
511.66
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
91.34
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4100361 Name:
3-Demethoxycarbonyl-3-ethoxymethyl-4-deacetyl-4-is
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Mol. Formula:
C28H40N2O5
M.W.:
484.64
Type:
Small molecule
AlogP:
3.14
Polar Surface Area:
71.47
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4099488 Name:
3-Demethoxycarbonyl-3-(propionyloxy)methyl vindoli
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Mol. Formula:
C27H36N2O6
M.W.:
484.59
Type:
Small molecule
AlogP:
2.42
Polar Surface Area:
88.54
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4090843 Name:
4-Deacetyl-4-methoxyl vindoline
Mol. Formula:
C24H32N2O5
M.W.:
428.53
Type:
Small molecule
AlogP:
1.72
Polar Surface Area:
71.47
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4089387 Name:
4-Deacetyl-4-isobutyryloxyl vindoline
Mol. Formula:
C27H36N2O6
M.W.:
484.59
Type:
Small molecule
AlogP:
2.28
Polar Surface Area:
88.54
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4087504 Name:
3-Demethoxycarbonyl-3-(isobutyryloxy)methyl vindol
Show More⌵
Mol. Formula:
C28H38N2O6
M.W.:
498.62
Type:
Small molecule
AlogP:
2.67
Polar Surface Area:
88.54
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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