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

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Chemoinformaics analysis of CINCHONAMINONE


Physiochemical Properties
Molecular Weight 312.413 nRot 6
Heavy Atom Molecular Weight 288.221 nRig 18
Exact Molecular Weight 312.184 nRing 3
Solubility: LogS -3.183 nHRing 2
Solubility: LogP 2.495 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 47 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 23 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 1
No. of Carbon atom 19 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 9
No. of Oxygen atom 2 No. of Arom Bond 10
nHA 3 APOL 51.537
nHD 3 BPOL 26.085
Medicinal Chemistry Properties
QED 0.567
Synth 3.607
Natural Product Likeliness 0.693
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.897
Pgp-sub 0.221
HIA 0.056
CACO-2 -5.265
Distribution
MDCK 0.00000617
BBB 0.423
PPB 0.417929
VDSS 2.278
Metabolism
FU 0.540947
CYP1A2-inh 0.535
CYP1A2-sub 0.46
CYP2c19-inh 0.06
CYP2c19-sub 0.454
CYP2c9-inh 0.01
CYP2c9-sub 0.116
CYP2d6-inh 0.904
CYP2d6-sub 0.867
CYP3a4-inh 0.71
CYP3a4-sub 0.564
Excretion
CL 7.425
T12 0.367
Toxicity
hERG 0.335
Ames 0.039
ROA 0.763
SkinSen 0.412
Carcinogencity 0.072
EI 0.03
Respiratory 0.963
NR-Aromatase 0.007
Antiviral Prediction
Antiviral Yes
Prediction 0.693284
OSADHI

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