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

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Chemoinformaics analysis of Germanicone


Physiochemical Properties
Molecular Weight 424.713 nRot 0
Heavy Atom Molecular Weight 376.329 nRig 27
Exact Molecular Weight 424.371 nRing 5
Solubility: LogS -6.911 nHRing 0
Solubility: LogP 6.732 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 5
Atoms Count 79 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 31 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 48 No. of Saturated Hetero Cycles 0
No. of Carbon atom 30 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 82.9081
nHD 0 BPOL 49.0219
Medicinal Chemistry Properties
QED 0.357
Synth 4.67
Natural Product Likeliness 2.953
NR-PPAR-gamma 0.238
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.016
Pgp-sub 0
HIA 0.015
CACO-2 -5.203
Distribution
MDCK 0.00000681
BBB 0.217
PPB 0.97091
VDSS 1.26
Metabolism
FU 0.0199822
CYP1A2-inh 0.038
CYP1A2-sub 0.653
CYP2c19-inh 0.101
CYP2c19-sub 0.972
CYP2c9-inh 0.117
CYP2c9-sub 0.843
CYP2d6-inh 0.161
CYP2d6-sub 0.891
CYP3a4-inh 0.374
CYP3a4-sub 0.477
Excretion
CL 4.605
T12 0.14
Toxicity
hERG 0.006
Ames 0.003
ROA 0.114
SkinSen 0.133
Carcinogencity 0.011
EI 0.886
Respiratory 0.97
NR-Aromatase 0.09
Antiviral Prediction
Antiviral No
Prediction 0.623989
OSADHI

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