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

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Chemoinformaics analysis of RHAZIDINE


Physiochemical Properties
Molecular Weight 299.438 nRot 1
Heavy Atom Molecular Weight 272.222 nRig 23
Exact Molecular Weight 299.212 nRing 5
Solubility: LogS -1.97 nHRing 4
Solubility: LogP 1.596 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 49 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 22 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 27 No. of Saturated Hetero Cycles 3
No. of Carbon atom 19 No. of Saturated Rings 3
No. of Nitrogen atom 2 No. of Arom Atom 6
No. of Oxygen atom 1 No. of Arom Bond 6
nHA 2 APOL 52.7354
nHD 2 BPOL 29.9366
Medicinal Chemistry Properties
QED 0.781
Synth 6.141
Natural Product Likeliness 1.283
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.002
Pgp-sub 0.999
HIA 0.933
CACO-2 -5.548
Distribution
MDCK 0.0000274
BBB 0.263
PPB 0.369249
VDSS 2.471
Metabolism
FU 0.621361
CYP1A2-inh 0.005
CYP1A2-sub 0.489
CYP2c19-inh 0.029
CYP2c19-sub 0.593
CYP2c9-inh 0.006
CYP2c9-sub 0.105
CYP2d6-inh 0.413
CYP2d6-sub 0.26
CYP3a4-inh 0.223
CYP3a4-sub 0.935
Excretion
CL 11.861
T12 0.889
Toxicity
hERG 0.005
Ames 0.229
ROA 0.775
SkinSen 0.281
Carcinogencity 0.861
EI 0.043
Respiratory 0.946
NR-Aromatase 0.054
Antiviral Prediction
Antiviral No
Prediction 0.712809
OSADHI

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