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

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Chemoinformaics analysis of DL-DIHYDROZEATIN


Physiochemical Properties
Molecular Weight 221.264 nRot 5
Heavy Atom Molecular Weight 206.144 nRig 11
Exact Molecular Weight 221.128 nRing 2
Solubility: LogS -2.003 nHRing 2
Solubility: LogP 0.395 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 31 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 0
No. of Nitrogen atom 5 No. of Arom Atom 9
No. of Oxygen atom 1 No. of Arom Bond 10
nHA 5 APOL 33.0039
nHD 3 BPOL 19.6081
Medicinal Chemistry Properties
QED 0.689
Synth 4.11
Natural Product Likeliness 0.759
NR-PPAR-gamma 0.019
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.998
HIA 0.013
CACO-2 -4.826
Distribution
MDCK 0.00000366
BBB 0.41
PPB 0.174347
VDSS 1.015
Metabolism
FU 0.741557
CYP1A2-inh 0.168
CYP1A2-sub 0.152
CYP2c19-inh 0.054
CYP2c19-sub 0.06
CYP2c9-inh 0.008
CYP2c9-sub 0.407
CYP2d6-inh 0.667
CYP2d6-sub 0.029
CYP3a4-inh 0.138
CYP3a4-sub 0.686
Excretion
CL 10.741
T12 0.911
Toxicity
hERG 0.037
Ames 0.016
ROA 0.982
SkinSen 0.925
Carcinogencity 0.022
EI 0.542
Respiratory 0.977
NR-Aromatase 0.923
Antiviral Prediction
Antiviral No
Prediction 0.644431
OSADHI

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