Chemoinformaics analysis of 7-Oxo-ganoderic acid Z


Molecular Weight 470.694 nRot 5
Heavy Atom Molecular Weight 424.326 nRig 23
Exact Molecular Weight 470.34 nRing 4
Solubility: LogS -4.141 nHRing 0
Solubility: LogP 5.545 No. of Aliphatic Rings 4
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 80 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 34 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 46 No. of Saturated Hetero Cycles 0
No. of Carbon atom 30 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 4 No. of Arom Bond 0
nHA 3 APOL 83.9805
nHD 2 BPOL 47.8835
QED 0.437
Synth 4.751
Natural Product Likeliness 3.322
NR-PPAR-gamma 0.875
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.727
Pgp-sub 0
HIA 0.017
CACO-2 -5.145
MDCK 0.0000157
BBB 0.168
PPB 0.953073
VDSS 0.643
FU 0.0319965
CYP1A2-inh 0.008
CYP1A2-sub 0.645
CYP2c19-inh 0.041
CYP2c19-sub 0.896
CYP2c9-inh 0.295
CYP2c9-sub 0.615
CYP2d6-inh 0.041
CYP2d6-sub 0.263
CYP3a4-inh 0.154
CYP3a4-sub 0.389
CL 7.651
T12 0.068
hERG 0.047
Ames 0.012
ROA 0.046
SkinSen 0.117
Carcinogencity 0.024
EI 0.015
Respiratory 0.973
NR-Aromatase 0.693
Antiviral Yes
Prediction 0.619009