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ALA4861935 Name:
Sanguiin H-6
Mol. Formula:
C82H54O53
M.W.:
1887.28
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5279164 Name:
3-(2-bromo-4,5-dimethoxyphenyl)-1-(4-bromophenyl)p
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Mol. Formula:
C17H15Br2NO3
M.W.:
441.12
Type:
---
AlogP:
5.12
Polar Surface Area:
51.05
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4104414 Name:
4-(1-((8R,9S,10R,13S,14S,16S,E)-17-ethylidene-10,1
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Mol. Formula:
C27H36N4O
M.W.:
432.61
Type:
Small molecule
AlogP:
5.75
Polar Surface Area:
71.57
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4089535 Name:
(8R,9S,10R,13S,14S,16S,E)-17-ethylidene-10,13-dime
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Mol. Formula:
C30H37N3O
M.W.:
455.65
Type:
Small molecule
AlogP:
6.88
Polar Surface Area:
47.78
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4069473 Name:
(8R,9S,10R,13S,14S,16S,E)-16-(4-butyl-1H-1,2,3-tri
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Mol. Formula:
C27H39N3O
M.W.:
421.63
Type:
Small molecule
AlogP:
6.25
Polar Surface Area:
47.78
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4082032 Name:
(8R,9S,10R,13S,14S,16S,E)-17-ethylidene-10,13-dime
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Mol. Formula:
C29H35N3O
M.W.:
441.62
Type:
Small molecule
AlogP:
6.57
Polar Surface Area:
47.78
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4080181 Name:
(8R,9S,10R,13S,14S,16S,E)-17-ethylidene-16-(4-(hyd
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Mol. Formula:
C24H33N3O2
M.W.:
395.55
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
68.01
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4067560 Name:
(8R,9S,10R,13S,14S,16S,E)-17-ethylidene-16-(4-(4-f
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Mol. Formula:
C29H34FN3O
M.W.:
459.61
Type:
Small molecule
AlogP:
6.71
Polar Surface Area:
47.78
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3746243 Name:
N-((R)-(2-Amino-5-chloro-3-fluoro-4-pyridinyl)(7-(
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Mol. Formula:
C25H24ClFN4O3S2
M.W.:
547.08
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
118.20
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3746034 Name:
N-((R)-(2-amino-5-chloro-4-pyrimidinyl)(7-(4-(1-hy
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Mol. Formula:
C24H24ClN5O3S2
M.W.:
530.08
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
131.09
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3746655 Name:
N-((R)-(2-Amino-5-chloro-4-pyridinyl)(7-(4-(1-hydr
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Mol. Formula:
C25H25ClN4O3S2
M.W.:
529.09
Type:
Small molecule
AlogP:
4.99
Polar Surface Area:
118.20
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3746444 Name:
N-((R)-(6-amino-3-chloro-5-fluoro-2-pyridinyl)(7-(
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Mol. Formula:
C25H24ClFN4O3S2
M.W.:
547.08
Type:
Small molecule
AlogP:
5.13
Polar Surface Area:
118.20
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3745887 Name:
N-((R)-(6-Amino-3-chloro-2-pyridinyl)(7-(4-(1-hydr
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Cas Number:
1492026-19-3
Mol. Formula:
C25H25ClN4O3S2
M.W.:
529.09
Type:
Small molecule
AlogP:
4.99
Polar Surface Area:
118.20
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3747365 Name:
N-((R)-(2-chloro-6-fluorophenyl)(7-(4-(1-hydroxy-1
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Mol. Formula:
C26H24ClFN2O3S2
M.W.:
531.07
Type:
Small molecule
AlogP:
6.15
Polar Surface Area:
79.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3746320 Name:
N-((R)-(2-Chlorophenyl)(7-(4-(1-hydroxy-1-methylet
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Mol. Formula:
C26H25ClN2O3S2
M.W.:
513.08
Type:
Small molecule
AlogP:
6.02
Polar Surface Area:
79.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3747490 Name:
N-((R)-(2-Chlorophenyl)(7-(4-((1S)-2,2,2-trifluoro
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Mol. Formula:
C26H22ClF3N2O3S2
M.W.:
567.05
Type:
Small molecule
AlogP:
6.56
Polar Surface Area:
79.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3745752 Name:
N-((R)-(2-Chlorophenyl)(7-(4-((1R)-2,2,2-trifluoro
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Mol. Formula:
C26H22ClF3N2O3S2
M.W.:
567.05
Type:
Small molecule
AlogP:
6.56
Polar Surface Area:
79.29
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3746954 Name:
N-((R)-(2-Chlorophenyl)(7-(3-((1S)-2,2,2-trifluoro
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Mol. Formula:
C27H23ClF3NO3S2
M.W.:
566.07
Type:
Small molecule
AlogP:
7.16
Polar Surface Area:
66.40
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA3746846 Name:
N-((R)-(2-Chlorophenyl)(7-(3-((1R)-2,2,2-trifluoro
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Mol. Formula:
C27H23ClF3NO3S2
M.W.:
566.07
Type:
Small molecule
AlogP:
7.16
Polar Surface Area:
66.40
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA3747326 Name:
N-((R)-1-Benzothiophen-2-yl(2-chlorophenyl)methyl)
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Mol. Formula:
C18H16ClNO2S2
M.W.:
377.92
Type:
Small molecule
AlogP:
4.73
Polar Surface Area:
46.17
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
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