Chemoinformaics analysis of Dihydrostilbene Dihydroxyresveratrol


Molecular Weight 442.511 nRot 4
Heavy Atom Molecular Weight 416.303 nRig 13
Exact Molecular Weight 442.178 nRing 4
Solubility: LogS -2.978 nHRing 0
Solubility: LogP 1.173 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 59 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 33 No. of Aromatic Carbocycles 3
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 0
No. of Carbon atom 28 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 18
No. of Oxygen atom 5 No. of Arom Bond 18
nHA 5 APOL 68.1066
nHD 5 BPOL 26.0834
QED 0.63
Synth 2.716
Natural Product Likeliness 0.542
NR-PPAR-gamma 0.004
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.02
Pgp-sub 0.051
HIA 0.032
CACO-2 -5.079
MDCK 0.00000565
BBB 0.073
PPB 0.758664
VDSS 0.456
FU 0.220851
CYP1A2-inh 0.506
CYP1A2-sub 0.076
CYP2c19-inh 0.108
CYP2c19-sub 0.054
CYP2c9-inh 0.27
CYP2c9-sub 0.93
CYP2d6-inh 0.471
CYP2d6-sub 0.547
CYP3a4-inh 0.877
CYP3a4-sub 0.145
CL 5.89
T12 0.825
hERG 0.064
Ames 0.066
ROA 0.115
SkinSen 0.873
Carcinogencity 0.023
EI 0.696
Respiratory 0.064
NR-Aromatase 0.055
Antiviral Yes
Prediction 0.681953