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

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Chemoinformaics analysis of PROSOGERIN D


Physiochemical Properties
Molecular Weight 358.346 nRot 5
Heavy Atom Molecular Weight 340.202 nRig 18
Exact Molecular Weight 358.105 nRing 3
Solubility: LogS -4.307 nHRing 1
Solubility: LogP 3.056 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 44 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 26 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 0
No. of Carbon atom 19 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 49.3463
nHD 1 BPOL 27.6057
Medicinal Chemistry Properties
QED 0.749
Synth 2.265
Natural Product Likeliness 0.828
NR-PPAR-gamma 0.076
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.902
Pgp-sub 0.032
HIA 0.011
CACO-2 -4.723
Distribution
MDCK 0.0000412
BBB 0.053
PPB 0.78612
VDSS 0.73
Metabolism
FU 0.223028
CYP1A2-inh 0.537
CYP1A2-sub 0.978
CYP2c19-inh 0.407
CYP2c19-sub 0.74
CYP2c9-inh 0.386
CYP2c9-sub 0.885
CYP2d6-inh 0.048
CYP2d6-sub 0.93
CYP3a4-inh 0.691
CYP3a4-sub 0.524
Excretion
CL 6.741
T12 0.674
Toxicity
hERG 0.09
Ames 0.219
ROA 0.121
SkinSen 0.74
Carcinogencity 0.029
EI 0.237
Respiratory 0.463
NR-Aromatase 0.829
Antiviral Prediction
Antiviral Yes
Prediction 0.794666
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A database of all the medicinal plants having PAN India presence.
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