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ALA2402005 Name:
ethyl 6-(5-(cyclopropylcarbamoyl)-2-methylphenylcarbamoyl)-1H-indole-1-carbShow More⌵
Mol. Formula:
C23H23N3O4
M.W.:
405.45
Type:
Small molecule
AlogP:
4.10
Polar Surface Area:
89.43
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2402004 Name:
N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1-isopropyl-1H-indole-6-carboxaShow More⌵
Mol. Formula:
C23H25N3O2
M.W.:
375.47
Type:
Small molecule
AlogP:
4.68
Polar Surface Area:
63.13
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2402003 Name:
N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1-methyl-1H-indole-6-carboxamidShow More⌵
Mol. Formula:
C21H21N3O2
M.W.:
347.42
Type:
Small molecule
AlogP:
3.63
Polar Surface Area:
63.13
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2402002 Name:
N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1H-indole-6-carboxamide
Mol. Formula:
C20H19N3O2
M.W.:
333.39
Type:
Small molecule
AlogP:
3.62
Polar Surface Area:
73.99
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2402001 Name:
N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(6-methylpyridin-3-yl)thiopheShow More⌵
Mol. Formula:
C22H21N3O2S
M.W.:
391.50
Type:
Small molecule
AlogP:
4.57
Polar Surface Area:
71.09
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2401999 Name:
N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(5-fluoropyridin-3-yl)thiopheShow More⌵
Mol. Formula:
C21H18FN3O2S
M.W.:
395.46
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
71.09
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA2401998 Name:
N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(pyridin-4-yl)thiophene-2-carShow More⌵
Mol. Formula:
C21H19N3O2S
M.W.:
377.47
Type:
Small molecule
AlogP:
4.26
Polar Surface Area:
71.09
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2401997 Name:
N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(pyridin-3-yl)thiophene-2-carShow More⌵
Mol. Formula:
C21H19N3O2S
M.W.:
377.47
Type:
Small molecule
AlogP:
4.26
Polar Surface Area:
71.09
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA2401993 Name:
N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(4-(dimethylcarbamoyl)phenyl)Show More⌵
Mol. Formula:
C25H25N3O3S
M.W.:
447.56
Type:
Small molecule
AlogP:
4.57
Polar Surface Area:
78.51
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA2401992 Name:
N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(4-((dimethylamino)methyl)pheShow More⌵
Mol. Formula:
C25H27N3O2S
M.W.:
433.58
Type:
Small molecule
AlogP:
4.93
Polar Surface Area:
61.44
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA2401980 Name:
5-(4-chlorophenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)furan-2-carboShow More⌵
Mol. Formula:
C22H19ClN2O3
M.W.:
394.86
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
71.34
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA2316479 Name:
8-(2,4-Difluoro-phenylamino)-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cycloheptenShow More⌵
Mol. Formula:
C25H22F2N2O4
M.W.:
452.46
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
98.66
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA2179119 Name:
4-[4-(4-Fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazoShow More⌵
Mol. Formula:
C28H19FN4O
M.W.:
446.49
Type:
Small molecule
AlogP:
6.80
Polar Surface Area:
77.59
HBA:
3
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA2177219 Name:
N-[2-Fluoro-5-(5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamino)-phenShow More⌵
Mol. Formula:
C24H21FN2O2
M.W.:
388.44
Type:
Small molecule
AlogP:
5.73
Polar Surface Area:
58.20
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA373545 Name:
2-(2-chlorophenyl)-6-(2-ethylphenylamino)pyridazin-3(2H)-one
Mol. Formula:
C18H16ClN3O
M.W.:
325.80
Type:
Small molecule
AlogP:
4.19
Polar Surface Area:
46.92
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA413460 Name:
2S,3S,4R,5R-5-6-amino-9H-purin-9-yl-N-12R,15R,18R,21R,24R,27R-12,15,18,21,2Show More⌵
Mol. Formula:
C69H116N34O14S
M.W.:
1677.98
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA279185 Name:
2S,3S,4R,5R-N-6R,9R,12R,15R,18R,21R-1-amino-6-carbamoyl-9,12,15,18,21-pentaShow More⌵
Mol. Formula:
C52H95N31O11
M.W.:
1330.54
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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