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ALA5272755 Name:
1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Mol. Formula:
C10H11N3O4S
M.W.:
269.28
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
-1.12
Polar Surface Area:
104.16
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5288201 Name:
Mol. Formula:
C15H12N2O
M.W.:
236.27
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
2.62
Polar Surface Area:
26.93
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.46
DETAILS
CLOSE
ALA5207220 Name:
2,4-diamino-6-((2S,5S)-2-(5-(5-methoxypyridin-3-yl)-4-oxo-3-(pyridin-3-yl)-Show More⌵
Mol. Formula:
C29H26N10O2
M.W.:
546.60
Type:
---
AlogP:
3.41
Polar Surface Area:
174.75
HBA:
12
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5206762 Name:
2,4-diamino-6-((2S,5S)-2-methyl-5-(4-oxo-3-phenyl-5-(p-tolylethynyl)-3,4-diShow More⌵
Mol. Formula:
C33H28N8O
M.W.:
552.64
Type:
---
AlogP:
4.65
Polar Surface Area:
139.74
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5203895 Name:
2,4-diamino-6-((2S,5S)-2-(5-((3-methoxyphenyl)ethynyl)-4-oxo-3-phenyl-3,4-dShow More⌵
Mol. Formula:
C33H28N8O2
M.W.:
568.64
Type:
---
AlogP:
4.35
Polar Surface Area:
148.97
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5203434 Name:
2,4-diamino-6-((2S,5S)-2-(5-chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yShow More⌵
Mol. Formula:
C24H21ClN8O
M.W.:
472.94
Type:
---
AlogP:
3.60
Polar Surface Area:
139.74
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5202874 Name:
2,4-diamino-6-((2S,5S)-2-methyl-5-(4-oxo-3-phenyl-5-(pyrimidin-5-yl)-3,4-diShow More⌵
Mol. Formula:
C28H24N10O
M.W.:
516.57
Type:
---
AlogP:
3.40
Polar Surface Area:
165.52
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5202777 Name:
2,4-diamino-6-((2S,5S)-2-(7-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazShow More⌵
Mol. Formula:
C23H20FN9O
M.W.:
457.47
Type:
---
AlogP:
2.48
Polar Surface Area:
152.63
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5202278 Name:
2,4-diamino-6-((2S,5S)-2-(8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazShow More⌵
Mol. Formula:
C23H20FN9O
M.W.:
457.47
Type:
---
AlogP:
2.48
Polar Surface Area:
152.63
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5202171 Name:
2,4-diamino-6-((2S,5S)-2-(5-(5-ethoxypyridin-3-yl)-4-oxo-3-phenyl-3,4-dihydShow More⌵
Mol. Formula:
C31H29N9O2
M.W.:
559.63
Type:
---
AlogP:
4.40
Polar Surface Area:
161.86
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5201929 Name:
2-Amino-N-[(R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(difluoromethoxy)-1-oxo-2Show More⌵
Mol. Formula:
C24H23F5N6O4
M.W.:
554.48
Type:
---
AlogP:
2.99
Polar Surface Area:
135.08
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5200020 Name:
2,4-diamino-6-((2S,5S)-2-(5-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazShow More⌵
Mol. Formula:
C23H20FN9O
M.W.:
457.47
Type:
---
AlogP:
2.48
Polar Surface Area:
152.63
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5199292 Name:
2,4-diamino-6-((2S,5S)-2-methyl-5-(4-oxo-3-phenyl-5-(thiophen-3-ylethynyl)-Show More⌵
Mol. Formula:
C30H24N8OS
M.W.:
544.64
Type:
---
AlogP:
4.40
Polar Surface Area:
139.74
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5198677 Name:
2-Amino-N-cyclopropyl-5-{2-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methShow More⌵
Mol. Formula:
C24H23F3N6O2
M.W.:
484.48
Type:
---
AlogP:
3.48
Polar Surface Area:
105.62
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5197539 Name:
2,4-diamino-6-((2S,5S)-2-(5-(5-methoxypyridin-3-yl)-4-oxo-3-phenyl-3,4-dihyShow More⌵
Mol. Formula:
C30H27N9O2
M.W.:
545.61
Type:
---
AlogP:
4.01
Polar Surface Area:
161.86
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5197366 Name:
2,4-diamino-6-((2S,5S)-2-(5-(1-(difluoromethyl)-1H-pyrazol-4-yl)-4-oxo-3-phShow More⌵
Mol. Formula:
C28H24F2N10O
M.W.:
554.57
Type:
---
AlogP:
4.20
Polar Surface Area:
157.56
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5196968 Name:
4-amino-6-((2S,3aS,7aS)-2-(5-chloro-4-oxo-3-(3-(trifluoromethoxy)phenyl)-3,Show More⌵
Mol. Formula:
C28H23ClF3N7O2
M.W.:
581.99
Type:
---
AlogP:
5.69
Polar Surface Area:
122.95
HBA:
9
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5196397 Name:
2,4-diamino-6-((2S,5S)-2-(5-(1-cyclopropyl-1H-pyrazol-4-yl)-4-oxo-3-phenyl-Show More⌵
Mol. Formula:
C30H28N10O
M.W.:
544.62
Type:
---
AlogP:
4.14
Polar Surface Area:
157.56
HBA:
11
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5195991 Name:
5-chloro-2-((2S,5S)-1-(2-fluoro-9H-purin-6-yl)-5-methylpyrrolidin-2-yl)-3-pShow More⌵
Mol. Formula:
C24H19ClFN7O
M.W.:
475.92
Type:
---
AlogP:
4.57
Polar Surface Area:
92.59
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5194893 Name:
2,4-diamino-6-((2S,5S)-2-methyl-5-(4-oxo-3-phenyl-5-(pyridin-3-yl)-3,4-dihyShow More⌵
Mol. Formula:
C29H25N9O
M.W.:
515.58
Type:
---
AlogP:
4.00
Polar Surface Area:
152.63
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
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