|
BCUT_SMR_3
|
Molar Refractivity BCUT (3/3)
|
|
b_double
|
Number of double bonds
|
|
b_max1len
|
Maximum single-bond chain length
|
|
dipole
|
Dipole moment
|
|
dipoleX
|
Dipole moment (X)
|
|
dipoleY
|
Dipole moment (Y)
|
|
E_ele
|
Electrostatic energy
|
|
E_vdw
|
Van der Waals energy
|
|
FASA+
|
Fractional positive accessible surface area
|
|
GCUT_SLOGP_2
|
LogP GCUT (2/3)
|
|
GCUT_SMR_0
|
Molar Refractivity GCUT (0/3)
|
|
PEOE_RPC-
|
Relative negative partial charge
|
|
PEOE_VSA + 5
|
Total positive 5 vdw surface area
|
|
PEOE_VSA-0
|
Total negative 0 vdw surface area
|
|
PEOE_VSA-1
|
Total negative 1 vdw surface area
|
|
PEOE_VSA_FPOS
|
Fractional positive vdw surface area
|
|
PEOE_VSA_FPPOS
|
Fractional polar positive vdw surface area
|
|
pmiX
|
Principal moment of inertia (X)
|
|
pmiZ
|
Principal moment of inertia (Z)
|
|
Q_VSA_FPNEG
|
Fractional polar negative vdw surface area
|
|
Q_VSA_FPPOS
|
Fractional polar positive vdw surface area
|
|
rsynth
|
Synthetic Feasibility
|
