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ALA5206579 Name:
N-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-2-((S)-1-(N-hydroxyforShow More⌵
Mol. Formula:
C21H33N3O4
M.W.:
391.51
Type:
---
AlogP:
2.14
Polar Surface Area:
98.74
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4435465 Name:
(R)-N-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-2-((S)-1-(N-hydroxShow More⌵
Mol. Formula:
C22H35N3O4
M.W.:
405.54
Type:
Unknown
AlogP:
2.53
Polar Surface Area:
98.74
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA3770935 Name:
(S)-3-((4-(4-Cyano-2-methylphenyl)piperazin-1-yl)sulfonyl)-N-hydroxythiazolShow More⌵
Mol. Formula:
C16H21N5O4S2
M.W.:
411.51
Type:
Small molecule
AlogP:
0.11
Polar Surface Area:
116.98
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3704910 Name:
US9115102, Ex14::US9115102, Ex24
Mol. Formula:
C26H31N5O6S
M.W.:
541.63
Type:
Small molecule
AlogP:
1.30
Polar Surface Area:
141.17
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
GI254023X Name:
(R)-N-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-2-((S)-1-(N-hydroxShow More⌵
Mol. Formula:
C21H33N3O4
M.W.:
391.51
Type:
Small molecule
AlogP:
2.14
Polar Surface Area:
98.74
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA506057 Name:
(1S,2R)-N-hydroxy-2-((S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl)-2-(4-((2-Show More⌵
Mol. Formula:
C33H33N3O5
M.W.:
551.64
Type:
Small molecule
AlogP:
4.52
Polar Surface Area:
111.99
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA496309 Name:
(1R,2S)-1-(3-fluoro-4-((2-phenylquinolin-4-yl)methoxy)benzyl)-N2-hydroxy-N1Show More⌵
Mol. Formula:
C30H28FN3O4
M.W.:
513.57
Type:
Small molecule
AlogP:
4.76
Polar Surface Area:
91.76
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA484261 Name:
(2R,3S)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-N,3-dihydroxybutanamide
Mol. Formula:
C14H18N2O6S
M.W.:
342.37
Type:
Small molecule
AlogP:
-0.38
Polar Surface Area:
124.96
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA398743 Name:
(R)-pyrrolidin-2-ylmethyl 4-((4-(4-cyano-2-methylphenyl)-5,6-dihydropyridinShow More⌵
Mol. Formula:
C26H35N5O6S
M.W.:
545.66
Type:
Small molecule
AlogP:
1.76
Polar Surface Area:
152.07
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA253652 Name:
(S)-pyrrolidin-2-ylmethyl 4-((4-(4-cyano-2-methylphenyl)-5,6-dihydropyridinShow More⌵
Mol. Formula:
C26H35N5O6S
M.W.:
545.66
Type:
Small molecule
AlogP:
1.76
Polar Surface Area:
152.07
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA400528 Name:
pyrrolidin-3-yl 4-((4-(4-cyano-2-methylphenyl)piperidin-1-ylsulfonyl)methylShow More⌵
Mol. Formula:
C25H35N5O6S
M.W.:
533.65
Type:
Small molecule
AlogP:
1.46
Polar Surface Area:
152.07
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA253230 Name:
(R)-pyrrolidin-2-ylmethyl 4-((4-(4-cyano-2-methylphenyl)piperidin-1-ylsulfoShow More⌵
Mol. Formula:
C26H37N5O6S
M.W.:
547.68
Type:
Small molecule
AlogP:
1.85
Polar Surface Area:
152.07
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA253021 Name:
(S)-pyrrolidin-2-ylmethyl 4-((4-(4-cyano-2-methylphenyl)piperidin-1-ylsulfoShow More⌵
Mol. Formula:
C26H37N5O6S
M.W.:
547.68
Type:
Small molecule
AlogP:
1.85
Polar Surface Area:
152.07
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA253020 Name:
(R)-pyrrolidin-2-ylmethyl 4-(hydroxycarbamoyl)-4-((4-o-tolylpiperidin-1-ylsShow More⌵
Mol. Formula:
C25H38N4O6S
M.W.:
522.67
Type:
Small molecule
AlogP:
1.98
Polar Surface Area:
128.28
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA253019 Name:
(S)-pyrrolidin-2-ylmethyl 4-(hydroxycarbamoyl)-4-((4-o-tolylpiperidin-1-ylsShow More⌵
Mol. Formula:
C25H38N4O6S
M.W.:
522.67
Type:
Small molecule
AlogP:
1.98
Polar Surface Area:
128.28
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA252612 Name:
pyrrolidin-3-yl 4-(hydroxycarbamoyl)-4-((4-o-tolylpiperidin-1-ylsulfonyl)meShow More⌵
Mol. Formula:
C24H36N4O6S
M.W.:
508.64
Type:
Small molecule
AlogP:
1.59
Polar Surface Area:
128.28
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
Type:
Small molecule
AlogP:
2.14
Polar Surface Area:
136.48
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA439405 Name:
4,4-dimethyl-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((4-o-tolylpiperidShow More⌵
Mol. Formula:
C26H39N3O7S
M.W.:
537.68
Type:
Small molecule
AlogP:
2.65
Polar Surface Area:
125.48
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA254492 Name:
3-methyl-tetrahydrofuran-3-yl 4-(hydroxycarbamoyl)-4-((4-o-tolylpiperidin-1Show More⌵
Mol. Formula:
C25H37N3O7S
M.W.:
523.65
Type:
Small molecule
AlogP:
2.41
Polar Surface Area:
125.48
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA251830 Name:
(S)-tetrahydrofuran-3-yl 4-((4-(4-cyano-2-methylphenyl)-5,6-dihydropyridin-Show More⌵
Mol. Formula:
C25H32N4O7S
M.W.:
532.62
Type:
Small molecule
AlogP:
1.80
Polar Surface Area:
149.27
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
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