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

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Chemoinformaics analysis of CINNAMYL CINNAMATE


Physiochemical Properties
Molecular Weight 264.324 nRot 5
Heavy Atom Molecular Weight 248.196 nRig 15
Exact Molecular Weight 264.115 nRing 2
Solubility: LogS -4.441 nHRing 0
Solubility: LogP 4.497 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 36 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 2
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 2 No. of Arom Bond 12
nHA 2 APOL 42.3327
nHD 0 BPOL 18.6553
Medicinal Chemistry Properties
QED 0.603
Synth 1.922
Natural Product Likeliness 0.461
NR-PPAR-gamma 0.163
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.99
Pgp-sub 0.012
HIA 0.015
CACO-2 -4.691
Distribution
MDCK 0.0000271
BBB 0.532
PPB 0.990818
VDSS 0.94
Metabolism
FU 0.015181
CYP1A2-inh 0.986
CYP1A2-sub 0.145
CYP2c19-inh 0.95
CYP2c19-sub 0.113
CYP2c9-inh 0.849
CYP2c9-sub 0.763
CYP2d6-inh 0.068
CYP2d6-sub 0.69
CYP3a4-inh 0.184
CYP3a4-sub 0.254
Excretion
CL 10.274
T12 0.755
Toxicity
hERG 0.462
Ames 0.854
ROA 0.062
SkinSen 0.978
Carcinogencity 0.141
EI 0.567
Respiratory 0.645
NR-Aromatase 0.109
Antiviral Prediction
Antiviral No
Prediction 0.728024
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A database of all the medicinal plants having PAN India presence.
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