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

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Chemoinformaics analysis of FERNENE


Physiochemical Properties
Molecular Weight 410.73 nRot 1
Heavy Atom Molecular Weight 360.33 nRig 25
Exact Molecular Weight 410.391 nRing 5
Solubility: LogS -7.268 nHRing 0
Solubility: LogP 8.457 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 5
Atoms Count 80 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 30 No. of Aromatic Carbocycles 0
nHetero 0 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 50 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 0 No. of Arom Bond 0
nHA 0 APOL 83.4397
nHD 0 BPOL 50.1604
Medicinal Chemistry Properties
QED 0.378
Synth 4.67
Natural Product Likeliness 3.169
NR-PPAR-gamma 0.014
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.043
Pgp-sub 0
HIA 0.012
CACO-2 -4.998
Distribution
MDCK 0.00000552
BBB 0.141
PPB 1.00084
VDSS 3.291
Metabolism
FU 0.0145002
CYP1A2-inh 0.024
CYP1A2-sub 0.493
CYP2c19-inh 0.078
CYP2c19-sub 0.978
CYP2c9-inh 0.065
CYP2c9-sub 0.503
CYP2d6-inh 0.053
CYP2d6-sub 0.62
CYP3a4-inh 0.168
CYP3a4-sub 0.717
Excretion
CL 14.19
T12 0.006
Toxicity
hERG 0.008
Ames 0.028
ROA 0.228
SkinSen 0.073
Carcinogencity 0.035
EI 0.395
Respiratory 0.9
NR-Aromatase 0.545
Antiviral Prediction
Antiviral No
Prediction 0.636794
OSADHI

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