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

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Chemoinformaics analysis of NIVEUSIN-B


Physiochemical Properties
Molecular Weight 378.421 nRot 3
Heavy Atom Molecular Weight 352.213 nRig 20
Exact Molecular Weight 378.168 nRing 3
Solubility: LogS -2.011 nHRing 3
Solubility: LogP 0.864 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 53 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 27 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 2
No. of Carbon atom 20 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 7 No. of Arom Bond 0
nHA 7 APOL 56.3506
nHD 2 BPOL 33.0274
Medicinal Chemistry Properties
QED 0.436
Synth 6.101
Natural Product Likeliness 3.601
NR-PPAR-gamma 0.887
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.186
Pgp-sub 0
HIA 0.124
CACO-2 -4.735
Distribution
MDCK 0.0000156
BBB 0.802
PPB 0.38168
VDSS 1.901
Metabolism
FU 0.272829
CYP1A2-inh 0.037
CYP1A2-sub 0.493
CYP2c19-inh 0.153
CYP2c19-sub 0.797
CYP2c9-inh 0.191
CYP2c9-sub 0.043
CYP2d6-inh 0.008
CYP2d6-sub 0.108
CYP3a4-inh 0.776
CYP3a4-sub 0.648
Excretion
CL 6.127
T12 0.494
Toxicity
hERG 0.004
Ames 0.524
ROA 0.861
SkinSen 0.308
Carcinogencity 0.918
EI 0.051
Respiratory 0.889
NR-Aromatase 0.838
Antiviral Prediction
Antiviral Yes
Prediction 0.62667
OSADHI

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