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

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Chemoinformaics analysis of PIPERANINE


Physiochemical Properties
Molecular Weight 287.359 nRot 4
Heavy Atom Molecular Weight 266.191 nRig 18
Exact Molecular Weight 287.152 nRing 3
Solubility: LogS -4.294 nHRing 2
Solubility: LogP 3.419 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 42 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 21 No. of Saturated Hetero Cycles 1
No. of Carbon atom 17 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 3 APOL 45.8987
nHD 0 BPOL 27.1173
Medicinal Chemistry Properties
QED 0.799
Synth 2.237
Natural Product Likeliness 0.224
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.984
Pgp-sub 0.001
HIA 0.001
CACO-2 -4.69
Distribution
MDCK 0.00003
BBB 0.425
PPB 0.960331
VDSS 0.592
Metabolism
FU 0.0427395
CYP1A2-inh 0.974
CYP1A2-sub 0.502
CYP2c19-inh 0.932
CYP2c19-sub 0.513
CYP2c9-inh 0.532
CYP2c9-sub 0.727
CYP2d6-inh 0.956
CYP2d6-sub 0.891
CYP3a4-inh 0.953
CYP3a4-sub 0.295
Excretion
CL 10.28
T12 0.603
Toxicity
hERG 0.463
Ames 0.004
ROA 0.038
SkinSen 0.959
Carcinogencity 0.801
EI 0.441
Respiratory 0.968
NR-Aromatase 0.177
Antiviral Prediction
Antiviral Yes
Prediction 0.71065
OSADHI

A database of all the medicinal plants having PAN India presence.
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