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ALA4783568 Name:
(E)-2-((5-Chloro-2-((4-(((2-((2-(2-cyano-4-methylpent-2-enamido)ethyl)aminoShow More⌵
Mol. Formula:
C32H32ClN9O4
M.W.:
642.12
Type:
Unknown
AlogP:
3.82
Polar Surface Area:
190.03
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA4777260 Name:
2-((2-((4-(((2-((2-Acrylamidoethyl)amino)-3,4-dioxocyclobut-1-en-1-yl)aminoShow More⌵
Mol. Formula:
C29H27F3N8O4
M.W.:
608.58
Type:
Unknown
AlogP:
3.26
Polar Surface Area:
166.24
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4752642 Name:
2-(2-(4-((2-(2-acrylamidoethylamino)-3,4-dioxocyclobut-1-enylamino)methyl)pShow More⌵
Mol. Formula:
C28H27ClN8O4
M.W.:
575.03
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
166.24
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4751164 Name:
N-(2-((2-((4-((5-Chloro-4-(((2-(N-methylmethylsulfonamido)-pyridin-3-yl)metShow More⌵
Mol. Formula:
C28H30ClN9O5S
M.W.:
640.13
Type:
Unknown
AlogP:
2.20
Polar Surface Area:
187.41
HBA:
12
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA3987106 Name:
Mol. Formula:
C25H28F3N7O3S
M.W.:
563.61
Type:
Small molecule
AlogP:
3.79
Polar Surface Area:
112.58
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3965256 Name:
N-allyl-N-(3-((2-(3-bromo-4-morpholinophenylamino)-5-(trifluoromethyl)pyrimShow More⌵
Mol. Formula:
C25H27BrF3N7O3S
M.W.:
642.50
Type:
Small molecule
AlogP:
4.80
Polar Surface Area:
112.58
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3958414 Name:
Mol. Formula:
C25H26F3N7O3S
M.W.:
561.59
Type:
Small molecule
AlogP:
3.88
Polar Surface Area:
112.58
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3949755 Name:
Mol. Formula:
C21H21F3N6O2S
M.W.:
478.50
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
100.11
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA3939286 Name:
Mol. Formula:
C28H24F3N7O3S
M.W.:
595.61
Type:
Small molecule
AlogP:
4.73
Polar Surface Area:
120.42
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA3936048 Name:
5-(N-(2-((2-(indolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methShow More⌵
Mol. Formula:
C27H31F3N6O4S
M.W.:
592.64
Type:
Small molecule
AlogP:
5.23
Polar Surface Area:
136.55
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA3914036 Name:
Mol. Formula:
C24H24F3N7O3S
M.W.:
547.56
Type:
Small molecule
AlogP:
3.70
Polar Surface Area:
120.42
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA3912281 Name:
Mol. Formula:
C23H22F3N7O3S
M.W.:
533.54
Type:
Small molecule
AlogP:
3.21
Polar Surface Area:
129.21
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA3898282 Name:
N-allyl-N-(4-(((2-(3-bromo-4-morpholinophenylamino)-5-(trifluoromethyl)pyriShow More⌵
Mol. Formula:
C26H29BrF3N7O3S
M.W.:
656.53
Type:
Small molecule
AlogP:
4.82
Polar Surface Area:
103.79
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3892377 Name:
N-allyl-N-(3-((2-(3-bromophenylamino)-5-(trifluoromethyl)pyrimidin-4-ylaminShow More⌵
Mol. Formula:
C21H20BrF3N6O2S
M.W.:
557.40
Type:
Small molecule
AlogP:
4.96
Polar Surface Area:
100.11
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA2448536 Name:
N4-((1R,2R)-2-(dimethylamino)cyclopentyl)-N2-(4-((S)-N-methylethylsulfonimiShow More⌵
Mol. Formula:
C21H29F3N6OS
M.W.:
470.57
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
88.50
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
PF-00562271 Name:
N-Methy1-N-(3-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethy1-Show More⌵
Mol. Formula:
C27H26F3N7O6S2
M.W.:
665.68
Type:
Small molecule
AlogP:
3.14
Polar Surface Area:
129.21
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA2207822 Name:
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(5-(4-methoxyphenyl)-1H-pyrazoShow More⌵
Mol. Formula:
C25H28N6O2
M.W.:
444.54
Type:
Small molecule
AlogP:
5.52
Polar Surface Area:
96.86
HBA:
5
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA2207821 Name:
7-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)-N-(3-chlorophenyl)-1H-Show More⌵
Mol. Formula:
C30H29ClN6O2
M.W.:
541.06
Type:
Small molecule
AlogP:
7.51
Polar Surface Area:
103.84
HBA:
4
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA2207442 Name:
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(5-(hydroxymethyl)-1H-pyrazol-Show More⌵
Mol. Formula:
C19H24N6O2
M.W.:
368.44
Type:
Small molecule
AlogP:
3.34
Polar Surface Area:
107.86
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA2207434 Name:
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(5-(5-methoxypyrazin-2-yl)-1H-Show More⌵
Mol. Formula:
C23H26N8O2
M.W.:
446.52
Type:
Small molecule
AlogP:
4.31
Polar Surface Area:
122.64
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
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