Chemoinformaics analysis of 2-Bromotetradecane


Molecular Weight 277.29 nRot 11
Heavy Atom Molecular Weight 248.058 nRig 21
Exact Molecular Weight 276.145 nRing 0
Solubility: LogS -6.966 nHRing 0
Solubility: LogP 7.384 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 44 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 15 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 29 No. of Saturated Hetero Cycles 0
No. of Carbon atom 14 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 0 APOL 45.767
nHD 0 BPOL 30.473
QED 0.439
Synth 4.498
Natural Product Likeliness 2.837
NR-PPAR-gamma 0.024
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.528
Pgp-sub 0
HIA 0.005
CACO-2 -4.742
MDCK 0.00000843
BBB 0.864
PPB 0.989865
VDSS 2.322
FU 0.0147791
CYP1A2-inh 0.076
CYP1A2-sub 0.558
CYP2c19-inh 0.076
CYP2c19-sub 0.942
CYP2c9-inh 0.13
CYP2c9-sub 0.417
CYP2d6-inh 0.013
CYP2d6-sub 0.887
CYP3a4-inh 0.275
CYP3a4-sub 0.625
CL 15.227
T12 0.013
hERG 0.051
Ames 0.022
ROA 0.024
SkinSen 0.062
Carcinogencity 0.11
EI 0.009
Respiratory 0.681
NR-Aromatase 0.063
Antiviral Yes
Prediction 0.803181