Type:
UnknownAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
3.94Polar Surface Area:
58.20HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.55DETAILS
Type:
UnknownAlogP:
3.54Polar Surface Area:
70.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
3.83Polar Surface Area:
41.46HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS-
Type:
Small moleculeAlogP:
3.66Polar Surface Area:
19.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.62DETAILS - ALA4293880
Name:
5-((2,6-Difluorophenyl)ethynyl)-1-methyl-1H-indoleMol. Formula:
C17H11F2NM.W.:
267.28Type:
Small moleculeAlogP:
3.86Polar Surface Area:
4.93HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4293672
Name:
7-((2,6-Difluorophenyl)ethynyl)quinolin-4-amineMol. Formula:
C17H10F2N2M.W.:
280.28Type:
Small moleculeAlogP:
3.50Polar Surface Area:
38.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.24Polar Surface Area:
28.68HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4292754
Name:
3-((2,6-Difluorophenyl)ethynyl)-8-fluoroquinolineMol. Formula:
C17H8F3NM.W.:
283.25Type:
Small moleculeAlogP:
4.05Polar Surface Area:
12.89HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.57DETAILS -
Type:
Small moleculeAlogP:
3.24Polar Surface Area:
28.68HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
4.57Polar Surface Area:
12.89HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
3.91Polar Surface Area:
12.89HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.91Polar Surface Area:
12.89HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
29.02HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA4290265
Name:
4-Chloro-7-((2,6-difluorophenyl)ethynyl)quinolineMol. Formula:
C17H8ClF2NM.W.:
299.71Type:
Small moleculeAlogP:
4.57Polar Surface Area:
12.89HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
3.24Polar Surface Area:
28.68HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4289342
Name:
3-((2,6-Difluorophenyl)ethynyl)quinolin-6-amineMol. Formula:
C17H10F2N2M.W.:
280.28Type:
Small moleculeAlogP:
3.50Polar Surface Area:
38.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA4288696
Name:
4-((2,6-Difluorophenyl)ethynyl)isoquinolin-1-amineMol. Formula:
C17H10F2N2M.W.:
280.28Type:
Small moleculeAlogP:
3.50Polar Surface Area:
38.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.64DETAILS -
Type:
Small moleculeAlogP:
3.12Polar Surface Area:
6.48HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.75DETAILS
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