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

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Chemoinformaics analysis of PROSOGERIN C


Physiochemical Properties
Molecular Weight 372.373 nRot 6
Heavy Atom Molecular Weight 352.213 nRig 18
Exact Molecular Weight 372.121 nRing 3
Solubility: LogS -4.796 nHRing 1
Solubility: LogP 3.092 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 47 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 27 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 7 No. of Arom Bond 17
nHA 7 APOL 52.3499
nHD 0 BPOL 31.3481
Medicinal Chemistry Properties
QED 0.655
Synth 2.176
Natural Product Likeliness 0.54
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.996
Pgp-sub 0.019
HIA 0.008
CACO-2 -4.64
Distribution
MDCK 0.0000631
BBB 0.152
PPB 0.700935
VDSS 0.755
Metabolism
FU 0.244364
CYP1A2-inh 0.262
CYP1A2-sub 0.985
CYP2c19-inh 0.385
CYP2c19-sub 0.903
CYP2c9-inh 0.271
CYP2c9-sub 0.885
CYP2d6-inh 0.009
CYP2d6-sub 0.942
CYP3a4-inh 0.628
CYP3a4-sub 0.718
Excretion
CL 7.02
T12 0.526
Toxicity
hERG 0.176
Ames 0.17
ROA 0.106
SkinSen 0.592
Carcinogencity 0.03
EI 0.028
Respiratory 0.284
NR-Aromatase 0.805
Antiviral Prediction
Antiviral Yes
Prediction 0.830113
OSADHI

A database of all the medicinal plants having PAN India presence.
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