Chemoinformaics analysis of PHOSPHATIDYL-SERINE


Molecular Weight 792.089 nRot 42
Heavy Atom Molecular Weight 709.433 nRig 5
Exact Molecular Weight 791.568 nRing 0
Solubility: LogS -2.32 nHRing 0
Solubility: LogP 10.281 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 136 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 54 No. of Aromatic Carbocycles 0
nHetero 12 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 82 No. of Saturated Hetero Cycles 0
No. of Carbon atom 42 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 10 No. of Arom Bond 0
nHA 9 APOL 137.567
nHD 3 BPOL 99.949
QED 0.034
Synth 4.065
Natural Product Likeliness 0.365
NR-PPAR-gamma 0.936
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.003
HIA 0.041
CACO-2 -5.305
MDCK 0.00000659
BBB 0.001
PPB 0.993538
VDSS 0.706
FU 0.00684063
CYP1A2-inh 0.02
CYP1A2-sub 0.106
CYP2c19-inh 0.201
CYP2c19-sub 0.044
CYP2c9-inh 0.036
CYP2c9-sub 0.992
CYP2d6-inh 0.086
CYP2d6-sub 0.022
CYP3a4-inh 0.211
CYP3a4-sub 0.003
CL 1.901
T12 0.137
hERG 0.665
Ames 0.005
ROA 0.001
SkinSen 0.974
Carcinogencity 0.188
EI 0.043
Respiratory 0.272
NR-Aromatase 0.128
Antiviral Yes
Prediction 0.814327