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ALA3618101 Name:
3-(4-Chlorophenyl)-N-((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)-3-oxopropan-1-Show More⌵
Mol. Formula:
C18H21Cl2NO2
M.W.:
354.28
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3618100 Name:
N-((1S,2R)-1-Hydroxy-1-phenylpropan-2-yl)-3-oxo-3-phenylpropan-1-amine hydrShow More⌵
Mol. Formula:
C18H22ClNO2
M.W.:
319.83
Type:
Small molecule
AlogP:
2.97
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3618099 Name:
N-((1R,2S)-1-Hydroxy-1-phenylpropan-2-yl)-3-oxo-3-phenylpropan-1-amine hydrShow More⌵
Mol. Formula:
C18H22ClNO2
M.W.:
319.83
Type:
Small molecule
AlogP:
2.97
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA3618098 Name:
3-(4-Chlorophenyl)-N-((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)-3-oxopropan-1-Show More⌵
Mol. Formula:
C18H21Cl2NO2
M.W.:
354.28
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
49.33
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA2415055 Name:
N-(4-Methoxyphenyl)-2-[(4-(2-furyl)-5-cyano-6-oxo-1,6-dihydro-pyrimidin-2-yShow More⌵
Mol. Formula:
C18H14N4O4S
M.W.:
382.40
Type:
Small molecule
AlogP:
2.64
Polar Surface Area:
121.01
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2415054 Name:
N-(4-Methoxyphenyl)-2-[(4-phenyl-5-cyano-6-oxo-1,6-dihydro-pyrimidin-2-yl)tShow More⌵
Mol. Formula:
C20H16N4O3S
M.W.:
392.44
Type:
Small molecule
AlogP:
3.05
Polar Surface Area:
107.87
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2415050 Name:
4-N-Benzylpiperazinyl-6-phenyl-2-thioxo-1,2-dihydropyrimidine-5-carbonitrilShow More⌵
Mol. Formula:
C22H21N5S
M.W.:
387.51
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
58.95
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA2415048 Name:
6-(4-Nitrophenyl)-4-piperidinyl-2-thioxo-1,2-dihydropyrimidine-5-carbonitriShow More⌵
Mol. Formula:
C16H15N5O2S
M.W.:
341.40
Type:
Small molecule
AlogP:
3.58
Polar Surface Area:
98.85
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA2375484 Name:
3-(2-Chlorophenyl)-6-(3,5-difluoropyridin-2-yl)-[1,2,4]-triazolo[3,4-b][1,3Show More⌵
Mol. Formula:
C14H6ClF2N5S
M.W.:
349.75
Type:
Small molecule
AlogP:
3.85
Polar Surface Area:
55.97
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA2282549 Name:
4-[4-(3-phenyl-acryloyl)-phenylamino]-chromen-2-one
Mol. Formula:
C24H17NO3
M.W.:
367.40
Type:
Small molecule
AlogP:
5.43
Polar Surface Area:
59.31
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA2238384 Name:
4-(4-(Ethylamino)-6-(1-methyl-2-oxo-1,2-dihydroquinolin-4-yloxy)-1,3,5-triaShow More⌵
Mol. Formula:
C22H19N7O2
M.W.:
413.44
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
117.75
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA2238383 Name:
4-(4-(Dimethylamino)-6-(1-methyl-2-oxo-1,2-dihydroquinolin-4-yloxy)-1,3,5-tShow More⌵
Mol. Formula:
C22H19N7O2
M.W.:
413.44
Type:
Small molecule
AlogP:
3.20
Polar Surface Area:
108.96
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA2238382 Name:
4-(4-(1-Methyl-2-oxo-1,2-dihydroquinolin-4-yloxy)-6-(methylamino)-1,3,5-triShow More⌵
Mol. Formula:
C21H17N7O2
M.W.:
399.41
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
117.75
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA2238381 Name:
4-(4-(2-(5-Methoxy-1H-indol-3-yl)ethylamino)-6-(1-methyl-2-oxo-1,2-dihydroqShow More⌵
Mol. Formula:
C31H26N8O3
M.W.:
558.60
Type:
Small molecule
AlogP:
5.28
Polar Surface Area:
142.77
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA2238379 Name:
4-(4-(Benzylamino)-6-(1-methyl-2-oxo-1,2-dihydroquinolin-4-yloxy)-1,3,5-triShow More⌵
Mol. Formula:
C27H21N7O2
M.W.:
475.51
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
117.75
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2238378 Name:
4-(4-(2-Hydroxyethylamino)-6-(1-methyl-2-oxo-1,2-dihydroquinolin-4-yloxy)-1Show More⌵
Mol. Formula:
C22H19N7O3
M.W.:
429.44
Type:
Small molecule
AlogP:
2.54
Polar Surface Area:
137.98
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA2235896 Name:
4-[4-(4-Methyl-piperazin-1-yl)-6-(quinazolin-4-yloxy)-1,3,5-triazin-2-ylamiShow More⌵
Mol. Formula:
C24H20F3N9O
M.W.:
507.48
Type:
Small molecule
AlogP:
3.99
Polar Surface Area:
115.98
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA425153 Name:
{3-[2-(5-(Acetyl-hydroxy-amino)-2-{5-(acetyl-hydroxy-amino)-2-[5-(acetyl-hyShow More⌵
Mol. Formula:
C35H53N9O14
M.W.:
823.86
Type:
Small molecule
AlogP:
-2.07
Polar Surface Area:
330.88
HBA:
14
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
24
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA368795 Name:
{3-[2-(5-(Acetyl-hydroxy-amino)-2-{5-(acetyl-hydroxy-amino)-2-[5-(acetyl-hyShow More⌵
Mol. Formula:
C35H53N9O15
M.W.:
839.86
Type:
Small molecule
AlogP:
-2.37
Polar Surface Area:
351.11
HBA:
15
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
24
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA414835 Name:
(5-(Acetyl-hydroxy-amino)-2-{5-(acetyl-hydroxy-amino)-2-[5-(acetyl-hydroxy-Show More⌵
Mol. Formula:
C29H45N7O12
M.W.:
683.72
Type:
Small molecule
AlogP:
-1.02
Polar Surface Area:
292.47
HBA:
12
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
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