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

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Chemoinformaics analysis of ORYZALEXIN-D


Physiochemical Properties
Molecular Weight 304.474 nRot 1
Heavy Atom Molecular Weight 272.218 nRig 17
Exact Molecular Weight 304.24 nRing 3
Solubility: LogS -3.77 nHRing 0
Solubility: LogP 3.489 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 3
Atoms Count 54 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 56.3414
nHD 2 BPOL 32.1026
Medicinal Chemistry Properties
QED 0.717
Synth 4.586
Natural Product Likeliness 3.618
NR-PPAR-gamma 0.491
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.195
Pgp-sub 0.012
HIA 0.02
CACO-2 -4.634
Distribution
MDCK 0.0000241
BBB 0.986
PPB 0.812465
VDSS 1.786
Metabolism
FU 0.15867
CYP1A2-inh 0.021
CYP1A2-sub 0.246
CYP2c19-inh 0.029
CYP2c19-sub 0.77
CYP2c9-inh 0.143
CYP2c9-sub 0.231
CYP2d6-inh 0.012
CYP2d6-sub 0.143
CYP3a4-inh 0.897
CYP3a4-sub 0.332
Excretion
CL 6.078
T12 0.065
Toxicity
hERG 0.005
Ames 0.013
ROA 0.171
SkinSen 0.027
Carcinogencity 0.066
EI 0.198
Respiratory 0.962
NR-Aromatase 0.229
Antiviral Prediction
Antiviral No
Prediction 0.530884
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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