Chemoinformaics analysis of Tetraethyl silicate


Molecular Weight 208.33 nRot 8
Heavy Atom Molecular Weight 188.17 nRig 0
Exact Molecular Weight 208.113 nRing 0
Solubility: LogS -1.785 nHRing 0
Solubility: LogP 1.97 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 13 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 0
No. of Carbon atom 8 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 4 No. of Arom Bond 0
nHA 4 APOL 35.4339
nHD 0 BPOL 42.4481
QED 0.567
Synth 2.836
Natural Product Likeliness -0.069
NR-PPAR-gamma 0.002
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.022
Pgp-sub 0.001
HIA 0.001
CACO-2 -4.158
MDCK 0.0000362
BBB 0.069
PPB 0.541756
VDSS 1.185
FU 0.321925
CYP1A2-inh 0.223
CYP1A2-sub 0.72
CYP2c19-inh 0.154
CYP2c19-sub 0.862
CYP2c9-inh 0.026
CYP2c9-sub 0.915
CYP2d6-inh 0.012
CYP2d6-sub 0.73
CYP3a4-inh 0.01
CYP3a4-sub 0.106
CL 7.634
T12 0.587
hERG 0.125
Ames 0.265
ROA 0.001
SkinSen 0.111
Carcinogencity 0.318
EI 0.902
Respiratory 0.004
NR-Aromatase 0.006
Antiviral No
Prediction 0.844863