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

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Chemoinformaics analysis of Glochilocudiol


Physiochemical Properties
Molecular Weight 810.989 nRot 7
Heavy Atom Molecular Weight 752.525 nRig 0
Exact Molecular Weight 810.42 nRing 9
Solubility: LogS -8.469 nHRing 6
Solubility: LogP 16.314 No. of Aliphatic Rings 6
Acid Count 0 No. of Aromatic Rings 3
Base Count 2 No. of Aliphatic Carbocycles Rings 1
Atoms Count 117 No. of Aliphatic Hetero Cycles 5
No. of Heavy Atom 59 No. of Aromatic Carbocycles 2
nHetero 13 No. of Aromatic Hetero Cycles 1
nBridge Head 2 No. Saturated Carbocycles 1
No. of Hydrogen atom 58 No. of Saturated Hetero Cycles 2
No. of Carbon atom 46 No. of Saturated Rings 3
No. of Nitrogen atom 4 No. of Arom Atom 15
No. of Oxygen atom 9 No. of Arom Bond 16
nHA 12 APOL 127.112
nHD 3 BPOL 73.434
Medicinal Chemistry Properties
QED 0.078
Synth 1.165
Natural Product Likeliness 0.068
NR-PPAR-gamma 0.028
Drug Likeliness
Lipinski Rejected
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0
HIA 0.004
CACO-2 -5.683
Distribution
MDCK 0.000000971
BBB 0
PPB 1.05387
VDSS 6.326
Metabolism
FU 0.00423939
CYP1A2-inh 0.014
CYP1A2-sub 0.097
CYP2c19-inh 0.069
CYP2c19-sub 0.046
CYP2c9-inh 0.005
CYP2c9-sub 0.986
CYP2d6-inh 0.007
CYP2d6-sub 0.006
CYP3a4-inh 0.083
CYP3a4-sub 0.005
Excretion
CL 4.089
T12 0.002
Toxicity
hERG 0.562
Ames 0.01
ROA 0.006
SkinSen 0.988
Carcinogencity 0.008
EI 0.921
Respiratory 0.095
NR-Aromatase 0.043
Antiviral Prediction
Antiviral Yes
Prediction 0.901209
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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