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

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Chemoinformaics analysis of MP-0382


Physiochemical Properties
Molecular Weight 291.328 nRot 4
Heavy Atom Molecular Weight 278.224 nRig 13
Exact Molecular Weight 291.057 nRing 2
Solubility: LogS -4.296 nHRing 1
Solubility: LogP 3.424 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 1
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 0
No. of Carbon atom 14 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 11
No. of Oxygen atom 4 No. of Arom Bond 11
nHA 6 APOL 39.2563
nHD 1 BPOL 20.1137
Medicinal Chemistry Properties
QED 0.692
Synth 2.293
Natural Product Likeliness -1.107
NR-PPAR-gamma 0.98
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.001
HIA 0.006
CACO-2 -4.691
Distribution
MDCK 0.0000229
BBB 0.109
PPB 0.988712
VDSS 0.578
Metabolism
FU 0.0135904
CYP1A2-inh 0.965
CYP1A2-sub 0.166
CYP2c19-inh 0.83
CYP2c19-sub 0.064
CYP2c9-inh 0.718
CYP2c9-sub 0.604
CYP2d6-inh 0.478
CYP2d6-sub 0.234
CYP3a4-inh 0.653
CYP3a4-sub 0.168
Excretion
CL 3.841
T12 0.206
Toxicity
hERG 0.013
Ames 0.026
ROA 0.003
SkinSen 0.127
Carcinogencity 0.038
EI 0.931
Respiratory 0.294
NR-Aromatase 0.817
Antiviral Prediction
Antiviral Yes
Prediction 0.774976
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A database of all the medicinal plants having PAN India presence.
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