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ALA5314348 Name:
BIVALIRUDIN
Mol. Formula:
M.W.:
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Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4105304 Name:
N-(1-(4-(5-chloropyridin-2-yl)piperazin-1-ylsulfonyl)-4-(pyridin-3-yl)butanShow More⌵
Mol. Formula:
C19H24ClN5O4S
M.W.:
453.95
Type:
Small molecule
AlogP:
1.43
Polar Surface Area:
106.94
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4104818 Name:
8-(2-ethyl-6-methylbenzylamino)-2,3-dimethyl-1,5-dihydroimidazo[1,2-a]pyridShow More⌵
Mol. Formula:
C20H26N4O
M.W.:
338.46
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
70.39
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4104780 Name:
1-(3,4-dichlorobenzyl)-4-(3-hydroxypropoxy)-1H-indole-2-carboxylic acid
Mol. Formula:
C19H17Cl2NO4
M.W.:
394.25
Type:
Small molecule
AlogP:
4.46
Polar Surface Area:
71.69
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4103444 Name:
N-(1-(4-(5-chloropyridin-2-yloxy)piperidin-1-ylsulfonyl)-4-(pyridin-3-yl)buShow More⌵
Mol. Formula:
C20H25ClN4O5S
M.W.:
468.96
Type:
Small molecule
AlogP:
2.15
Polar Surface Area:
112.93
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4103340 Name:
(4-(4-borylphenylsulfonyl)piperazin-1-yl)(4-(6-methylpyrimidin-4-yl)piperazShow More⌵
Mol. Formula:
C20H27BN6O3S
M.W.:
442.35
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4102921 Name:
(2-methyl-9-phenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridin-3-yl)mShow More⌵
Mol. Formula:
C18H18N2O2
M.W.:
294.35
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
46.76
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4101392 Name:
Ceftriaxone sodium
Mol. Formula:
C18H18N8NaO7S3+
M.W.:
577.58
Type:
Small molecule
AlogP:
-1.20
Polar Surface Area:
215.22
HBA:
15
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4100888 Name:
2-((4-(4-fluorophenyl)piperazin-1-ylsulfonyl)methyl)-N-hydroxy-4-phenylbutaShow More⌵
Mol. Formula:
C21H26FN3O4S
M.W.:
435.52
Type:
Small molecule
AlogP:
2.03
Polar Surface Area:
89.95
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4100817 Name:
3-(4-(6-(5-(3-chlorophenylamino)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazol-Show More⌵
Mol. Formula:
C26H22ClN5O3
M.W.:
487.95
Type:
Small molecule
AlogP:
6.31
Polar Surface Area:
116.93
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4100519 Name:
N-(1-((R)-2,3-dihydroxypropyl)-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-2-metShow More⌵
Mol. Formula:
C20H21N3O4S
M.W.:
399.47
Type:
Small molecule
AlogP:
1.58
Polar Surface Area:
105.66
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4100515 Name:
2-amino-N-((2S,3S,4R)-5-(6-(dimethylamino)-9H-purin-9-yl)-4-hydroxy-2-(hydrShow More⌵
Mol. Formula:
C22H29N7O5
M.W.:
471.52
Type:
Small molecule
AlogP:
-0.79
Polar Surface Area:
160.88
HBA:
11
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ZD 9379 Name:
7-chloro-2-(4-methoxy-2-methylphenyl)-2,3-dihydropyridazino[4,5-b]quinolineShow More⌵
Mol. Formula:
C19H14ClN3O4
M.W.:
383.79
Type:
Small molecule
AlogP:
2.49
Polar Surface Area:
96.95
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4099090 Name:
1-(4-chloro-3-(trifluoromethyl)benzyl)-5-hydroxy-1H-indole-2-carboxylic aciShow More⌵
Mol. Formula:
C17H11ClF3NO3
M.W.:
369.73
Type:
Small molecule
AlogP:
4.77
Polar Surface Area:
62.46
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4098652 Name:
5-(4-((2S,4R)-4-hydroxy-2-methyltetrahydro-2H-pyran-4-yl)thiophen-2-ylthio)Show More⌵
Mol. Formula:
C19H21NO3S2
M.W.:
375.52
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
49.77
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
Type:
Small molecule
AlogP:
0.14
Polar Surface Area:
66.40
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4098422 Name:
4-amino-2-(6-(dimethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuraShow More⌵
Mol. Formula:
C12H18N6O3
M.W.:
294.32
Type:
Small molecule
AlogP:
-1.53
Polar Surface Area:
122.55
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4097595 Name:
5-acetoxy-1-(3,4-dichlorobenzyl)-1H-indole-2-carboxylic acid
Mol. Formula:
C18H13Cl2NO4
M.W.:
378.21
Type:
Small molecule
AlogP:
4.62
Polar Surface Area:
68.53
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4097474 Name:
(E)-N-(4-chlorophenyl)-3-(isopropylimino)-5-p-tolyl-3,5-dihydrophenazin-2-aShow More⌵
Mol. Formula:
C28H25ClN4
M.W.:
452.99
Type:
Small molecule
AlogP:
7.14
Polar Surface Area:
42.21
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
GDC-0941 dimesylate Name:
4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3Show More⌵
Mol. Formula:
C25H35N7O9S4
M.W.:
705.86
Type:
Small molecule
AlogP:
2.15
Polar Surface Area:
107.55
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
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