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

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Chemoinformaics analysis of Physalien


Physiochemical Properties
Molecular Weight 1045.72 nRot 40
Heavy Atom Molecular Weight 928.788 nRig 7
Exact Molecular Weight 1044.89 nRing 2
Solubility: LogS -2.598 nHRing 0
Solubility: LogP 2.485 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 192 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 76 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 116 No. of Saturated Hetero Cycles 0
No. of Carbon atom 72 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 200.796
nHD 0 BPOL 121.58
Medicinal Chemistry Properties
QED 0.561
Synth 3.634
Natural Product Likeliness 1.429
NR-PPAR-gamma 0.017
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.078
Pgp-sub 0.002
HIA 0.004
CACO-2 -4.506
Distribution
MDCK 0.0000345
BBB 0.264
PPB 0.893082
VDSS 2.009
Metabolism
FU 0.090715
CYP1A2-inh 0.103
CYP1A2-sub 0.768
CYP2c19-inh 0.115
CYP2c19-sub 0.834
CYP2c9-inh 0.069
CYP2c9-sub 0.129
CYP2d6-inh 0.283
CYP2d6-sub 0.071
CYP3a4-inh 0.09
CYP3a4-sub 0.493
Excretion
CL 6.925
T12 0.844
Toxicity
hERG 0.013
Ames 0.027
ROA 0.891
SkinSen 0.929
Carcinogencity 0.877
EI 0.95
Respiratory 0.975
NR-Aromatase 0.379
Antiviral Prediction
Antiviral Yes
Prediction 0.772284
OSADHI

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