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ALA5280420 Name:
(E)-methyl 2-(butoxycarbonylamino)-3-(3-(4-(N'-(2,2,2-trifluoroacetoxy)carbShow More⌵
Mol. Formula:
C23H26F3N5O9
M.W.:
573.48
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
1.78
Polar Surface Area:
193.67
HBA:
11
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5285684 Name:
1-[(7S,8R)-7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiaShow More⌵
Mol. Formula:
C16H19N3O4
M.W.:
317.35
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
1.81
Polar Surface Area:
88.69
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
Iptacopan hydrochloride Name:
4-((2S,4S)-(4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-Show More⌵
Mol. Formula:
C25H31ClN2O4
M.W.:
458.99
Type:
Unknown
AlogP:
4.93
Polar Surface Area:
74.79
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4561901 Name:
N-(3-((3S,4aS,5R,7aS)-2-amino-3-cyano-3,5-dimethyl-3,4,4a,5,7,7a-hexahydrofShow More⌵
Mol. Formula:
C23H21FN6O2
M.W.:
432.46
Type:
Unknown
AlogP:
2.87
Polar Surface Area:
137.18
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4242594 Name:
N2-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-6-methyl-N8-neopentyShow More⌵
Mol. Formula:
C24H32Cl2N8O
M.W.:
519.48
Type:
Small molecule
AlogP:
4.73
Polar Surface Area:
102.67
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4207531 Name:
2-(3-(4-amino-6-(1-methyl-1H-pyrazol-4-ylamino)-1,3,5-triazin-2-yl)-2-(hydrShow More⌵
Mol. Formula:
C26H25FN8O6S
M.W.:
596.60
Type:
Small molecule
AlogP:
3.41
Polar Surface Area:
136.77
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4205901 Name:
5-amino-3,4-dimethyl-N-(4-(trifluoromethylsulfonyl)benzyl)thieno[2,3-c]pyriShow More⌵
Mol. Formula:
C17H16ClF3N4O3S2
M.W.:
480.92
Type:
Small molecule
AlogP:
3.11
Polar Surface Area:
115.04
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4167017 Name:
(5(3)S,2R,7S,10S,E)-10-Isopropyl-2,7-dimethyl-5(1),5(2),5(3),5(4),5(5),5(6)Show More⌵
Mol. Formula:
C28H35N5O5
M.W.:
521.62
Type:
Small molecule
AlogP:
2.40
Polar Surface Area:
129.73
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4103004 Name:
(R)-8-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-2-(Show More⌵
Mol. Formula:
C24H28N4O5
M.W.:
452.51
Type:
Small molecule
AlogP:
2.02
Polar Surface Area:
105.09
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4098878 Name:
2-(3-Fluorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carbShow More⌵
Mol. Formula:
C19H19FN4OS
M.W.:
370.45
Type:
Small molecule
AlogP:
3.37
Polar Surface Area:
80.04
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
GNE-781 Name:
3-[7-(Difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-ylShow More⌵
Mol. Formula:
C27H33F2N7O2
M.W.:
525.60
Type:
Small molecule
AlogP:
4.35
Polar Surface Area:
80.45
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
HSK3486 Name:
(R)-2-(1-cyclopropylethyl)-6-isopropylphenol
Mol. Formula:
C14H20O
M.W.:
204.31
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4092741 Name:
4-((6-(3-cyclopentylureido)-1H-indazol-1-yl)methyl)-3-methoxy-N-(phenylsulfShow More⌵
Mol. Formula:
C28H29N5O5S
M.W.:
547.64
Type:
Small molecule
AlogP:
4.28
Polar Surface Area:
131.42
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA4079329 Name:
Isopropyl (2S)-2-[[[(8R,9S,13S,14S,17S)-17-Hydroxyl-13-methyl-6,7,8,9,11,12Show More⌵
Mol. Formula:
C26H40NO6P
M.W.:
493.58
Type:
Small molecule
AlogP:
5.01
Polar Surface Area:
94.09
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
GNE-049 Name:
1-(3-(7-(Difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1Show More⌵
Mol. Formula:
C27H32F2N6O2
M.W.:
510.59
Type:
Small molecule
AlogP:
4.56
Polar Surface Area:
68.42
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4075319 Name:
(R)-8-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-2-(Show More⌵
Mol. Formula:
C22H26N4O5S
M.W.:
458.54
Type:
Small molecule
AlogP:
2.08
Polar Surface Area:
105.09
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4074410 Name:
3-(4-(6-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazol-2-ylShow More⌵
Mol. Formula:
C29H28N4O4
M.W.:
496.57
Type:
Small molecule
AlogP:
6.23
Polar Surface Area:
114.13
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4073345 Name:
Benzyl (2S)-2-[[[[(4R,4aS,7aR,12bS)-3-Allyl-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7Show More⌵
Mol. Formula:
C31H37N2O8P
M.W.:
596.62
Type:
Small molecule
AlogP:
3.49
Polar Surface Area:
123.63
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4069245 Name:
(R)-8-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-2-(Show More⌵
Mol. Formula:
C24H28N4O5
M.W.:
452.51
Type:
Small molecule
AlogP:
1.31
Polar Surface Area:
104.97
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4068506 Name:
Isopropyl (S)-2-[[[[(S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahyShow More⌵
Mol. Formula:
C30H36N3O9P
M.W.:
613.60
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
155.28
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
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