Chemoinformaics analysis of 2-Ethenyl-2-methyl-5-propan-2-yloxolane


Molecular Weight 154.253 nRot 2
Heavy Atom Molecular Weight 136.109 nRig 6
Exact Molecular Weight 154.136 nRing 1
Solubility: LogS -2.825 nHRing 1
Solubility: LogP 2.819 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 29 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 18 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 29.5043
nHD 0 BPOL 19.7937
QED 0.556
Synth 3.953
Natural Product Likeliness 3.13
NR-PPAR-gamma 0.003
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0
HIA 0.004
CACO-2 -4.288
MDCK 0.0000236
BBB 0.401
PPB 0.826845
VDSS 1.755
FU 0.169593
CYP1A2-inh 0.069
CYP1A2-sub 0.693
CYP2c19-inh 0.07
CYP2c19-sub 0.941
CYP2c9-inh 0.073
CYP2c9-sub 0.253
CYP2d6-inh 0.01
CYP2d6-sub 0.666
CYP3a4-inh 0.397
CYP3a4-sub 0.59
CL 7.445
T12 0.321
hERG 0.023
Ames 0.078
ROA 0.04
SkinSen 0.26
Carcinogencity 0.137
EI 0.964
Respiratory 0.152
NR-Aromatase 0.009
Antiviral No
Prediction 0.939817