OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of Cyperine


Physiochemical Properties
Molecular Weight 260.289 nRot 3
Heavy Atom Molecular Weight 244.161 nRig 17
Exact Molecular Weight 260.105 nRing 2
Solubility: LogS -2.135 nHRing 0
Solubility: LogP 0.781 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 4 No. of Arom Bond 12
nHA 4 APOL 38.9267
nHD 2 BPOL 19.5233
Medicinal Chemistry Properties
QED 0.395
Synth 4.865
Natural Product Likeliness 3.494
NR-PPAR-gamma 0.758
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0
HIA 0.88
CACO-2 -4.723
Distribution
MDCK 0.0000441
BBB 0.952
PPB 0.553723
VDSS 1.089
Metabolism
FU 0.402132
CYP1A2-inh 0.042
CYP1A2-sub 0.083
CYP2c19-inh 0.02
CYP2c19-sub 0.17
CYP2c9-inh 0.015
CYP2c9-sub 0.309
CYP2d6-inh 0.006
CYP2d6-sub 0.166
CYP3a4-inh 0.015
CYP3a4-sub 0.257
Excretion
CL 5.469
T12 0.488
Toxicity
hERG 0.004
Ames 0.049
ROA 0.868
SkinSen 0.098
Carcinogencity 0.846
EI 0.038
Respiratory 0.872
NR-Aromatase 0.199
Antiviral Prediction
Antiviral No
Prediction 0.74551
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