Chemoinformaics analysis of Tetrahydrofarnesol


Molecular Weight 226.404 nRot 9
Heavy Atom Molecular Weight 196.164 nRig 1
Exact Molecular Weight 226.23 nRing 0
Solubility: LogS -5.151 nHRing 0
Solubility: LogP 5.579 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 46 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 45.8558
nHD 1 BPOL 30.0962
QED 0.571
Synth 3.208
Natural Product Likeliness 1.934
NR-PPAR-gamma 0.004
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.113
Pgp-sub 0.002
HIA 0.005
CACO-2 -4.34
MDCK 0.0000158
BBB 0.411
PPB 0.977939
VDSS 3.104
FU 0.0263464
CYP1A2-inh 0.875
CYP1A2-sub 0.207
CYP2c19-inh 0.271
CYP2c19-sub 0.358
CYP2c9-inh 0.431
CYP2c9-sub 0.882
CYP2d6-inh 0.016
CYP2d6-sub 0.072
CYP3a4-inh 0.054
CYP3a4-sub 0.129
CL 12.576
T12 0.167
hERG 0.021
Ames 0.003
ROA 0.006
SkinSen 0.94
Carcinogencity 0.067
EI 0.962
Respiratory 0.067
NR-Aromatase 0.007
Antiviral Yes
Prediction 0.773537