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ALA5269840 Name:
((2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuShow More⌵
Mol. Formula:
C26H22BrClN2O8
M.W.:
605.83
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Type:
---
AlogP:
3.58
Polar Surface Area:
125.92
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5171815 Name:
2,7-bis(3-(piperidin-1-yl)propyl)-10H-indolo[3,2-b]quinoline
Mol. Formula:
C31H40N4
M.W.:
468.69
Type:
---
AlogP:
6.71
Polar Surface Area:
35.16
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4878076 Name:
NA
Mol. Formula:
C38H50N6O6
M.W.:
686.85
Type:
Unknown
AlogP:
3.43
Polar Surface Area:
139.44
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4876099 Name:
NA
Mol. Formula:
C33H42N6O6
M.W.:
618.74
Type:
Unknown
AlogP:
1.87
Polar Surface Area:
139.44
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4875768 Name:
NA
Mol. Formula:
C35H46N6O6
M.W.:
646.79
Type:
Unknown
AlogP:
2.51
Polar Surface Area:
139.44
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4865025 Name:
NA
Mol. Formula:
C36H40N6O6
M.W.:
652.75
Type:
Unknown
AlogP:
2.63
Polar Surface Area:
139.44
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
BRACO 19 trihydrochloride Name:
N,N'-(9-(4-(Dimethylamino)phenylamino)acridine-3,6-diyl)bis(3-(pyrrolidin-1Show More⌵
Mol. Formula:
C35H46Cl3N7O2
M.W.:
703.16
Type:
Unknown
AlogP:
6.05
Polar Surface Area:
92.84
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4568445 Name:
20(R),24(S)-epoxy-3beta,6alpha,12alpha,16beta,25-pentahydroxyanost-9(11)-enShow More⌵
Mol. Formula:
C30H50O6
M.W.:
506.72
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
110.38
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4562049 Name:
20(R),24(S)-epoxy-6alpha,16beta,25,30-tetrahydroxycycloartan-3-one
Mol. Formula:
C30H48O6
M.W.:
504.71
Type:
Unknown
AlogP:
3.62
Polar Surface Area:
107.22
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4545020 Name:
2-((1-(2-(3-(3-aminopropylamino)propylamino)-2-oxoethyl)quinolin-4(1H)-ylidShow More⌵
Mol. Formula:
C26H32ClN5OS
M.W.:
498.10
Type:
Unknown
AlogP:
3.04
Polar Surface Area:
74.27
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4544357 Name:
2-((1-(2-(3-(4-(3-aminopropylamino)butylamino)propylamino)-2-oxoethyl)quinoShow More⌵
Mol. Formula:
C30H41ClN6OS
M.W.:
569.22
Type:
Unknown
AlogP:
3.41
Polar Surface Area:
86.30
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4526267 Name:
N,N'-(4,4'-(4,4'-(1,3-phenylene)bis(1H-1,2,3-triazole-4,1-diyl))bis(4,1-pheShow More⌵
Mol. Formula:
C38H44N10O2
M.W.:
672.84
Type:
Unknown
AlogP:
5.81
Polar Surface Area:
126.10
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4521145 Name:
20(R),24(S)-epoxy-3beta,6alpha,12alpha,16beta,25-pentahydroxycycloartane
Mol. Formula:
C30H50O6
M.W.:
506.72
Type:
Unknown
AlogP:
3.41
Polar Surface Area:
110.38
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4483805 Name:
20(R),24(S)-Epoxy-6alpha,11beta,16beta,25-tetrahydroxycycloartan-3-one
Mol. Formula:
C30H48O6
M.W.:
504.71
Type:
Unknown
AlogP:
3.62
Polar Surface Area:
107.22
HBA:
6
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4476641 Name:
N,N'-(4,4'-(4,4'-(1,3-phenylene)bis(1H-1,2,3-triazole-4,1-diyl))bis(4,1-pheShow More⌵
Mol. Formula:
C36H40N10O2
M.W.:
644.78
Type:
Unknown
AlogP:
5.03
Polar Surface Area:
126.10
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4474033 Name:
2-((1-(2-(2-(2-(2-aminoethylamino)ethylamino)ethylamino)-2-oxoethyl)quinoliShow More⌵
Mol. Formula:
C26H33ClN6OS
M.W.:
513.11
Type:
Unknown
AlogP:
1.85
Polar Surface Area:
86.30
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4463229 Name:
N,N'-(4,4'-(4,4'-(1,3-phenylene)bis(1H-1,2,3-triazole-4,1-diyl))bis(4,1-pheShow More⌵
Mol. Formula:
C36H44N10O2
M.W.:
648.82
Type:
Unknown
AlogP:
5.52
Polar Surface Area:
126.10
HBA:
10
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4459668 Name:
3-methyl-2-((1-(2-oxo-2-(2-(piperidin-1-yl)ethylamino)ethyl)quinolin-4(1H)-Show More⌵
Mol. Formula:
C27H31BrN4OS
M.W.:
539.54
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
39.46
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4459474 Name:
Thiazole orange chloride
Mol. Formula:
C19H17ClN2S
M.W.:
340.88
Type:
Unknown
AlogP:
4.20
Polar Surface Area:
7.12
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4455539 Name:
3-methyl-2-((1-(2-oxo-2-(2-(pyrrolidin-1-yl)ethylamino)ethyl)quinolin-4(1H)Show More⌵
Mol. Formula:
C26H29BrN4OS
M.W.:
525.52
Type:
Unknown
AlogP:
3.81
Polar Surface Area:
39.46
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
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