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

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Chemoinformaics analysis of MURRAYAZOLININE


Physiochemical Properties
Molecular Weight 349.474 nRot 1
Heavy Atom Molecular Weight 322.258 nRig 24
Exact Molecular Weight 349.204 nRing 5
Solubility: LogS -3.639 nHRing 2
Solubility: LogP 5.433 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 53 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 26 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 2 No. Saturated Carbocycles 1
No. of Hydrogen atom 27 No. of Saturated Hetero Cycles 0
No. of Carbon atom 23 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 13
No. of Oxygen atom 2 No. of Arom Bond 15
nHA 2 APOL 59.1174
nHD 2 BPOL 29.3926
Medicinal Chemistry Properties
QED 0.615
Synth 4.745
Natural Product Likeliness 1.916
NR-PPAR-gamma 0.037
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.688
Pgp-sub 0.004
HIA 0.012
CACO-2 -4.85
Distribution
MDCK 0.0000125
BBB 0.281
PPB 0.984443
VDSS 3.127
Metabolism
FU 0.00904041
CYP1A2-inh 0.403
CYP1A2-sub 0.957
CYP2c19-inh 0.426
CYP2c19-sub 0.885
CYP2c9-inh 0.322
CYP2c9-sub 0.894
CYP2d6-inh 0.64
CYP2d6-sub 0.44
CYP3a4-inh 0.464
CYP3a4-sub 0.726
Excretion
CL 4.553
T12 0.093
Toxicity
hERG 0.037
Ames 0.088
ROA 0.528
SkinSen 0.241
Carcinogencity 0.698
EI 0.013
Respiratory 0.953
NR-Aromatase 0.876
Antiviral Prediction
Antiviral Yes
Prediction 0.68616
OSADHI

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