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

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Chemoinformaics analysis of HERNANDOLINOL


Physiochemical Properties
Molecular Weight 361.438 nRot 3
Heavy Atom Molecular Weight 334.222 nRig 20
Exact Molecular Weight 361.189 nRing 4
Solubility: LogS -2.272 nHRing 1
Solubility: LogP 1.584 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 2
Atoms Count 53 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 26 No. of Aromatic Carbocycles 1
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 27 No. of Saturated Hetero Cycles 1
No. of Carbon atom 20 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 5 No. of Arom Bond 6
nHA 6 APOL 56.5134
nHD 2 BPOL 34.0046
Medicinal Chemistry Properties
QED 0.857
Synth 4.398
Natural Product Likeliness 2.323
NR-PPAR-gamma 0.019
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.008
Pgp-sub 0.815
HIA 0.01
CACO-2 -4.756
Distribution
MDCK 0.0000118
BBB 0.997
PPB 0.564889
VDSS 2.148
Metabolism
FU 0.416705
CYP1A2-inh 0.027
CYP1A2-sub 0.902
CYP2c19-inh 0.091
CYP2c19-sub 0.945
CYP2c9-inh 0.067
CYP2c9-sub 0.492
CYP2d6-inh 0.092
CYP2d6-sub 0.851
CYP3a4-inh 0.229
CYP3a4-sub 0.943
Excretion
CL 10.667
T12 0.521
Toxicity
hERG 0.03
Ames 0.05
ROA 0.299
SkinSen 0.018
Carcinogencity 0.11
EI 0.015
Respiratory 0.945
NR-Aromatase 0.712
Antiviral Prediction
Antiviral No
Prediction 0.645879
OSADHI

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