ALA5280101Name:
N2,N7-dicyclohexyl-9-(hydroxyimino)-9H-fluorene-2,7-disulfonamideMol. Formula:
C25H31N3O5S2M.W.:
517.67Type:
---AlogP:
4.12Polar Surface Area:
124.93HBA:
6HBD:
3#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.34DETAILS
Type:
---AlogP:
6.80Polar Surface Area:
236.01HBA:
15HBD:
5#RO5 Violations:
3#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.06DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
---AlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
Type:
UnknownAlogP:
0.64Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS-
Type:
UnknownAlogP:
0.01Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4646082
Name:
7-((4-Fluorophenyl)ethynyl)-4-aza-7,9-dideazaadenosineMol. Formula:
C19H17FN4O4M.W.:
384.37Type:
UnknownAlogP:
0.00Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
0.44Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.54DETAILS -
Type:
UnknownAlogP:
-0.13Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.47DETAILS -
Type:
UnknownAlogP:
-0.27Polar Surface Area:
139.27HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
UnknownAlogP:
-0.38Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
UnknownAlogP:
0.19Polar Surface Area:
126.13HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4640462
Name:
7-(Cyclopropylethynyl)-4-aza-7,9-dideazaadenosineMol. Formula:
C16H18N4O4M.W.:
330.34Type:
UnknownAlogP:
-0.77Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4638455
Name:
7-(Thiophen-2-ylethynyl)-4-aza-7,9-dideazaadenosineMol. Formula:
C17H16N4O4SM.W.:
372.41Type:
UnknownAlogP:
-0.07Polar Surface Area:
126.13HBA:
9HBD:
4#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS -
Type:
UnknownAlogP:
0.13Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4636054
Name:
7-(2,4-Difluorophenyl)-4-aza-7,9-dideazaadenosineMol. Formula:
C17H16F2N4O4M.W.:
378.34Type:
UnknownAlogP:
0.41Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
UnknownAlogP:
0.27Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4635032
Name:
7-(2-Chlorophenyl)-4-aza-7,9-dideazaadenosineMol. Formula:
C17H17ClN4O4M.W.:
376.80Type:
UnknownAlogP:
0.79Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
UnknownAlogP:
0.27Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA4634483
Name:
7-(4-Chlorophenyl)-4-aza-7,9-dideazaadenosineMol. Formula:
C17H17ClN4O4M.W.:
376.80Type:
UnknownAlogP:
0.79Polar Surface Area:
126.13HBA:
8HBD:
4#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.53DETAILS
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