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

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Chemoinformaics analysis of JASMININE


Physiochemical Properties
Molecular Weight 220.228 nRot 1
Heavy Atom Molecular Weight 208.132 nRig 13
Exact Molecular Weight 220.085 nRing 2
Solubility: LogS -1.798 nHRing 2
Solubility: LogP 0.444 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 28 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 11 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 4 APOL 30.9775
nHD 1 BPOL 17.2205
Medicinal Chemistry Properties
QED 0.704
Synth 3.339
Natural Product Likeliness 0.805
NR-PPAR-gamma 0.025
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.1
HIA 0.009
CACO-2 -4.64
Distribution
MDCK 0.0000115
BBB 0.986
PPB 0.479138
VDSS 1.316
Metabolism
FU 0.602908
CYP1A2-inh 0.376
CYP1A2-sub 0.855
CYP2c19-inh 0.134
CYP2c19-sub 0.684
CYP2c9-inh 0.066
CYP2c9-sub 0.192
CYP2d6-inh 0.008
CYP2d6-sub 0.212
CYP3a4-inh 0.355
CYP3a4-sub 0.509
Excretion
CL 7.099
T12 0.81
Toxicity
hERG 0.026
Ames 0.014
ROA 0.042
SkinSen 0.276
Carcinogencity 0.073
EI 0.013
Respiratory 0.216
NR-Aromatase 0.01
Antiviral Prediction
Antiviral No
Prediction 0.693791
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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