Chemoinformaics analysis of CANNABIGEROVARIN


Molecular Weight 288.431 nRot 7
Heavy Atom Molecular Weight 260.207 nRig 8
Exact Molecular Weight 288.209 nRing 1
Solubility: LogS -3.664 nHRing 0
Solubility: LogP 6.958 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 49 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 0
No. of Carbon atom 19 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 2 APOL 52.0042
nHD 2 BPOL 28.0898
QED 0.67
Synth 2.702
Natural Product Likeliness 1.892
NR-PPAR-gamma 0.807
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.899
Pgp-sub 0.003
HIA 0.005
CACO-2 -4.747
MDCK 0.0000229
BBB 0.138
PPB 0.989755
VDSS 8.451
FU 0.0252061
CYP1A2-inh 0.963
CYP1A2-sub 0.243
CYP2c19-inh 0.906
CYP2c19-sub 0.177
CYP2c9-inh 0.783
CYP2c9-sub 0.965
CYP2d6-inh 0.918
CYP2d6-sub 0.678
CYP3a4-inh 0.389
CYP3a4-sub 0.158
CL 14.214
T12 0.386
hERG 0.039
Ames 0.011
ROA 0.039
SkinSen 0.926
Carcinogencity 0.078
EI 0.856
Respiratory 0.151
NR-Aromatase 0.404
Antiviral Yes
Prediction 0.735864