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

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Chemoinformaics analysis of Cardamonin


Physiochemical Properties
Molecular Weight 270.284 nRot 4
Heavy Atom Molecular Weight 256.172 nRig 14
Exact Molecular Weight 270.089 nRing 2
Solubility: LogS -3.225 nHRing 0
Solubility: LogP 3.035 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 34 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 4 No. of Arom Bond 12
nHA 4 APOL 39.2631
nHD 2 BPOL 16.6489
Medicinal Chemistry Properties
QED 0.662
Synth 2.096
Natural Product Likeliness 0.926
NR-PPAR-gamma 0.8
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.006
Pgp-sub 0.011
HIA 0.008
CACO-2 -4.867
Distribution
MDCK 0.0000153
BBB 0.246
PPB 0.988683
VDSS 0.537
Metabolism
FU 0.00896908
CYP1A2-inh 0.986
CYP1A2-sub 0.708
CYP2c19-inh 0.705
CYP2c19-sub 0.084
CYP2c9-inh 0.751
CYP2c9-sub 0.934
CYP2d6-inh 0.841
CYP2d6-sub 0.871
CYP3a4-inh 0.819
CYP3a4-sub 0.181
Excretion
CL 12.553
T12 0.887
Toxicity
hERG 0.072
Ames 0.811
ROA 0.749
SkinSen 0.935
Carcinogencity 0.523
EI 0.974
Respiratory 0.772
NR-Aromatase 0.758
Antiviral Prediction
Antiviral No
Prediction 0.702828
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