Chemoinformaics analysis of ganoderenic-acid-d


Molecular Weight 312.277 nRot 2
Heavy Atom Molecular Weight 300.181 nRig 22
Exact Molecular Weight 312.063 nRing 4
Solubility: LogS -4.213 nHRing 2
Solubility: LogP 3.104 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 23 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 17 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 6 No. of Arom Bond 17
nHA 6 APOL 41.2035
nHD 1 BPOL 19.8505
QED 0.784
Synth 2.387
Natural Product Likeliness 1.016
NR-PPAR-gamma 0.007
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.007
Pgp-sub 0.009
HIA 0.003
CACO-2 -4.811
MDCK 0.0000375
BBB 0.043
PPB 0.961912
VDSS 0.509
FU 0.0418429
CYP1A2-inh 0.977
CYP1A2-sub 0.471
CYP2c19-inh 0.967
CYP2c19-sub 0.068
CYP2c9-inh 0.645
CYP2c9-sub 0.921
CYP2d6-inh 0.969
CYP2d6-sub 0.917
CYP3a4-inh 0.933
CYP3a4-sub 0.158
CL 11.863
T12 0.511
hERG 0.047
Ames 0.06
ROA 0.176
SkinSen 0.474
Carcinogencity 0.864
EI 0.632
Respiratory 0.362
NR-Aromatase 0.526
Antiviral Yes
Prediction 0.827415