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

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Chemoinformaics analysis of Cinnamamide


Physiochemical Properties
Molecular Weight 147.177 nRot 2
Heavy Atom Molecular Weight 138.105 nRig 8
Exact Molecular Weight 147.068 nRing 1
Solubility: LogS -2.31 nHRing 0
Solubility: LogP 1.168 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 20 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 1
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 9 No. of Saturated Hetero Cycles 0
No. of Carbon atom 9 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 1 No. of Arom Bond 6
nHA 1 APOL 22.9331
nHD 1 BPOL 9.32686
Medicinal Chemistry Properties
QED 0.627
Synth 1.75
Natural Product Likeliness 0.052
NR-PPAR-gamma 0.011
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.028
Pgp-sub 0.002
HIA 0.008
CACO-2 -4.454
Distribution
MDCK 0.0000412
BBB 0.994
PPB 0.796559
VDSS 0.6
Metabolism
FU 0.250076
CYP1A2-inh 0.921
CYP1A2-sub 0.401
CYP2c19-inh 0.121
CYP2c19-sub 0.071
CYP2c9-inh 0.041
CYP2c9-sub 0.798
CYP2d6-inh 0.025
CYP2d6-sub 0.62
CYP3a4-inh 0.012
CYP3a4-sub 0.199
Excretion
CL 7.939
T12 0.531
Toxicity
hERG 0.107
Ames 0.273
ROA 0.017
SkinSen 0.904
Carcinogencity 0.537
EI 0.992
Respiratory 0.084
NR-Aromatase 0.009
Antiviral Prediction
Antiviral No
Prediction 0.886723
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A database of all the medicinal plants having PAN India presence.
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