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

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Chemoinformaics analysis of OLEANDOMYCIN


Physiochemical Properties
Molecular Weight 687.868 nRot 6
Heavy Atom Molecular Weight 626.38 nRig 31
Exact Molecular Weight 687.419 nRing 4
Solubility: LogS -3.119 nHRing 4
Solubility: LogP 1.837 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 109 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 48 No. of Aromatic Carbocycles 0
nHetero 13 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 61 No. of Saturated Hetero Cycles 4
No. of Carbon atom 35 No. of Saturated Rings 4
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 12 No. of Arom Bond 0
nHA 13 APOL 109.848
nHD 3 BPOL 76.7936
Medicinal Chemistry Properties
QED 0.274
Synth 6.533
Natural Product Likeliness 1.668
NR-PPAR-gamma 0.005
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.992
Pgp-sub 0.991
HIA 0.055
CACO-2 -5.398
Distribution
MDCK 0.000153321
BBB 0.015
PPB 0.519391
VDSS 0.758
Metabolism
FU 0.240214
CYP1A2-inh 0
CYP1A2-sub 0.209
CYP2c19-inh 0.004
CYP2c19-sub 0.977
CYP2c9-inh 0
CYP2c9-sub 0.029
CYP2d6-inh 0
CYP2d6-sub 0.226
CYP3a4-inh 0.092
CYP3a4-sub 0.921
Excretion
CL 15.688
T12 0.071
Toxicity
hERG 0.031
Ames 0.071
ROA 0.797
SkinSen 0.009
Carcinogencity 0.181
EI 0.004
Respiratory 0.307
NR-Aromatase 0.004
Antiviral Prediction
Antiviral Yes
Prediction 0.774791
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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