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

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Chemoinformaics analysis of Phanoside


Physiochemical Properties
Molecular Weight 915.124 nRot 9
Heavy Atom Molecular Weight 836.5 nRig 44
Exact Molecular Weight 914.524 nRing 8
Solubility: LogS -3.081 nHRing 4
Solubility: LogP 2.797 No. of Aliphatic Rings 8
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 142 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 64 No. of Aromatic Carbocycles 0
nHetero 17 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 78 No. of Saturated Hetero Cycles 4
No. of Carbon atom 47 No. of Saturated Rings 8
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 17 No. of Arom Bond 0
nHA 17 APOL 144.134
nHD 10 BPOL 90.4021
Medicinal Chemistry Properties
QED 0.114
Synth 6.472
Natural Product Likeliness 2.364
NR-PPAR-gamma 0.627
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.997
Pgp-sub 0.023
HIA 0.989
CACO-2 -5.569
Distribution
MDCK 0.000136125
BBB 0.06
PPB 0.823272
VDSS 0.168
Metabolism
FU 0.0742607
CYP1A2-inh 0
CYP1A2-sub 0.105
CYP2c19-inh 0
CYP2c19-sub 0.452
CYP2c9-inh 0
CYP2c9-sub 0.043
CYP2d6-inh 0
CYP2d6-sub 0.105
CYP3a4-inh 0.009
CYP3a4-sub 0.026
Excretion
CL 0.437
T12 0.02
Toxicity
hERG 0.03
Ames 0.125
ROA 0.462
SkinSen 0.007
Carcinogencity 0.007
EI 0.002
Respiratory 0.51
NR-Aromatase 0.661
Antiviral Prediction
Antiviral Yes
Prediction 0.849252
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A database of all the medicinal plants having PAN India presence.
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