Chemoinformaics analysis of (R)-(-)-(Z)-14-METHYL-8-HEXADECEN-1-OL


Molecular Weight 254.458 nRot 13
Heavy Atom Molecular Weight 220.186 nRig 1
Exact Molecular Weight 254.261 nRing 0
Solubility: LogS -6.17 nHRing 0
Solubility: LogP 6.611 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 52 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 18 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 34 No. of Saturated Hetero Cycles 0
No. of Carbon atom 17 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 51.863
nHD 1 BPOL 34.109
QED 0.341
Synth 2.691
Natural Product Likeliness 1.401
NR-PPAR-gamma 0.084
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.001
Pgp-sub 0.008
HIA 0.004
CACO-2 -4.495
MDCK 0.000013
BBB 0.196
PPB 0.971635
VDSS 2.923
FU 0.0196758
CYP1A2-inh 0.821
CYP1A2-sub 0.196
CYP2c19-inh 0.393
CYP2c19-sub 0.059
CYP2c9-inh 0.376
CYP2c9-sub 0.911
CYP2d6-inh 0.041
CYP2d6-sub 0.06
CYP3a4-inh 0.293
CYP3a4-sub 0.059
CL 7.89
T12 0.187
hERG 0.077
Ames 0.005
ROA 0.01
SkinSen 0.96
Carcinogencity 0.058
EI 0.949
Respiratory 0.072
NR-Aromatase 0.101
Antiviral Yes
Prediction 0.748932