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

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Chemoinformaics analysis of Nororientaline


Physiochemical Properties
Molecular Weight 315.369 nRot 4
Heavy Atom Molecular Weight 294.201 nRig 17
Exact Molecular Weight 315.147 nRing 3
Solubility: LogS -1.676 nHRing 1
Solubility: LogP 1.559 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 44 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 23 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 21 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 12
No. of Oxygen atom 4 No. of Arom Bond 12
nHA 5 APOL 48.3707
nHD 3 BPOL 25.1093
Medicinal Chemistry Properties
QED 0.809
Synth 2.81
Natural Product Likeliness 1.257
NR-PPAR-gamma 0.031
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.01
Pgp-sub 0.233
HIA 0.014
CACO-2 -4.996
Distribution
MDCK 0.00000958
BBB 0.058
PPB 0.544401
VDSS 1.579
Metabolism
FU 0.235374
CYP1A2-inh 0.191
CYP1A2-sub 0.95
CYP2c19-inh 0.176
CYP2c19-sub 0.691
CYP2c9-inh 0.021
CYP2c9-sub 0.637
CYP2d6-inh 0.493
CYP2d6-sub 0.933
CYP3a4-inh 0.049
CYP3a4-sub 0.866
Excretion
CL 12.104
T12 0.853
Toxicity
hERG 0.512
Ames 0.17
ROA 0.638
SkinSen 0.875
Carcinogencity 0.055
EI 0.01
Respiratory 0.883
NR-Aromatase 0.466
Antiviral Prediction
Antiviral Yes
Prediction 0.707239
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A database of all the medicinal plants having PAN India presence.
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