Chemoinformaics analysis of RIBOSOME-INACTIVATING-PROTEIN


Molecular Weight 584.706 nRot 4
Heavy Atom Molecular Weight 540.354 nRig 32
Exact Molecular Weight 584.299 nRing 6
Solubility: LogS -4.581 nHRing 3
Solubility: LogP 3.012 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 3
Atoms Count 86 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 42 No. of Aromatic Carbocycles 0
nHetero 9 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 44 No. of Saturated Hetero Cycles 2
No. of Carbon atom 33 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 5
No. of Oxygen atom 9 No. of Arom Bond 5
nHA 9 APOL 91.6669
nHD 2 BPOL 54.5571
QED 0.3
Synth 5.768
Natural Product Likeliness 3.426
NR-PPAR-gamma 0.934
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.999
Pgp-sub 0.998
HIA 0.146
CACO-2 -5.022
MDCK 0.0000727
BBB 0.745
PPB 0.960467
VDSS 2.906
FU 0.0604662
CYP1A2-inh 0.003
CYP1A2-sub 0.163
CYP2c19-inh 0.032
CYP2c19-sub 0.844
CYP2c9-inh 0.287
CYP2c9-sub 0.057
CYP2d6-inh 0.009
CYP2d6-sub 0.156
CYP3a4-inh 0.584
CYP3a4-sub 0.807
CL 13.417
T12 0.031
hERG 0.04
Ames 0.02
ROA 0.908
SkinSen 0.023
Carcinogencity 0.041
EI 0.005
Respiratory 0.968
NR-Aromatase 0.685
Antiviral Yes
Prediction 0.816259