Chemoinformaics analysis of DIPRENYL-NARINGENIN


Molecular Weight 408.494 nRot 5
Heavy Atom Molecular Weight 380.27 nRig 20
Exact Molecular Weight 408.194 nRing 3
Solubility: LogS -3.603 nHRing 1
Solubility: LogP 5.652 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 58 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 30 No. of Aromatic Carbocycles 2
nHetero 5 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 25 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 5 No. of Arom Bond 12
nHA 5 APOL 64.4302
nHD 3 BPOL 30.6938
QED 0.56
Synth 3.988
Natural Product Likeliness 1.922
NR-PPAR-gamma 0.454
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.348
Pgp-sub 0.031
HIA 0.008
CACO-2 -4.753
MDCK 0.0000164
BBB 0.013
PPB 0.974229
VDSS 1.209
FU 0.040622
CYP1A2-inh 0.924
CYP1A2-sub 0.174
CYP2c19-inh 0.946
CYP2c19-sub 0.082
CYP2c9-inh 0.905
CYP2c9-sub 0.95
CYP2d6-inh 0.956
CYP2d6-sub 0.222
CYP3a4-inh 0.826
CYP3a4-sub 0.204
CL 21.663
T12 0.13
hERG 0.184
Ames 0.02
ROA 0.252
SkinSen 0.898
Carcinogencity 0.178
EI 0.883
Respiratory 0.652
NR-Aromatase 0.831
Antiviral Yes
Prediction 0.638424