Chemoinformaics analysis of 8,8-DIMETHYL-4-METHYLENE-1-OXASPIRO[2.5]OCT-5-ENE


Molecular Weight 150.221 nRot 0
Heavy Atom Molecular Weight 136.109 nRig 10
Exact Molecular Weight 150.104 nRing 2
Solubility: LogS -3.058 nHRing 1
Solubility: LogP 2.747 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 25 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 1
No. of Carbon atom 10 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 26.8371
nHD 0 BPOL 15.7809
QED 0.483
Synth 4.938
Natural Product Likeliness 2.524
NR-PPAR-gamma 0.14
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.007
Pgp-sub 0
HIA 0.005
CACO-2 -4.522
MDCK 0.0000545
BBB 0.732
PPB 0.739667
VDSS 2.054
FU 0.25668
CYP1A2-inh 0.256
CYP1A2-sub 0.769
CYP2c19-inh 0.276
CYP2c19-sub 0.897
CYP2c9-inh 0.104
CYP2c9-sub 0.144
CYP2d6-inh 0.01
CYP2d6-sub 0.727
CYP3a4-inh 0.034
CYP3a4-sub 0.528
CL 6.815
T12 0.397
hERG 0.01
Ames 0.112
ROA 0.58
SkinSen 0.881
Carcinogencity 0.933
EI 0.876
Respiratory 0.965
NR-Aromatase 0.318
Antiviral No
Prediction 0.93499