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

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Chemoinformaics analysis of RHAZINILAM


Physiochemical Properties
Molecular Weight 294.398 nRot 1
Heavy Atom Molecular Weight 272.222 nRig 23
Exact Molecular Weight 294.173 nRing 4
Solubility: LogS -4.156 nHRing 3
Solubility: LogP 3.436 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 44 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 22 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 0
No. of Carbon atom 19 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 11
No. of Oxygen atom 1 No. of Arom Bond 11
nHA 2 APOL 49.4014
nHD 1 BPOL 25.2186
Medicinal Chemistry Properties
QED 0.834
Synth 3.76
Natural Product Likeliness 0.76
NR-PPAR-gamma 0.644
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.928
Pgp-sub 0.008
HIA 0.002
CACO-2 -4.603
Distribution
MDCK 0.0000185
BBB 0.596
PPB 0.840721
VDSS 1.477
Metabolism
FU 0.104955
CYP1A2-inh 0.795
CYP1A2-sub 0.914
CYP2c19-inh 0.82
CYP2c19-sub 0.462
CYP2c9-inh 0.541
CYP2c9-sub 0.451
CYP2d6-inh 0.702
CYP2d6-sub 0.86
CYP3a4-inh 0.896
CYP3a4-sub 0.482
Excretion
CL 2.946
T12 0.386
Toxicity
hERG 0.163
Ames 0.743
ROA 0.852
SkinSen 0.048
Carcinogencity 0.687
EI 0.012
Respiratory 0.803
NR-Aromatase 0.629
Antiviral Prediction
Antiviral Yes
Prediction 0.616462
OSADHI

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