Chemoinformaics analysis of Penta Methyl Phenyl-Disilane


Molecular Weight 208.453 nRot 2
Heavy Atom Molecular Weight 188.293 nRig 6
Exact Molecular Weight 208.11 nRing 1
Solubility: LogS -6.017 nHRing 0
Solubility: LogP 4.565 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
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 1
nHetero 2 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 11 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 0 No. of Arom Bond 6
nHA 0 APOL 42.7659
nHD 0 BPOL 43.2241
QED 0.656
Synth 2.605
Natural Product Likeliness -0.13
NR-PPAR-gamma 0.002
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.002
Pgp-sub 0.005
HIA 0.018
CACO-2 -4.907
MDCK 0.000071
BBB 0.017
PPB 1.00223
VDSS 4.273
FU 0.0413167
CYP1A2-inh 0.95
CYP1A2-sub 0.958
CYP2c19-inh 0.137
CYP2c19-sub 0.933
CYP2c9-inh 0.178
CYP2c9-sub 0.728
CYP2d6-inh 0.017
CYP2d6-sub 0.196
CYP3a4-inh 0.038
CYP3a4-sub 0.67
CL 2.052
T12 0.706
hERG 0.076
Ames 0.023
ROA 0.001
SkinSen 0.667
Carcinogencity 0.023
EI 0.996
Respiratory 0.618
NR-Aromatase 0.005
Antiviral No
Prediction 0.697352