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

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Chemoinformaics analysis of SATIVOSIDE-R-2


Physiochemical Properties
Molecular Weight 1197.32 nRot 14
Heavy Atom Molecular Weight 1104.59 nRig 60
Exact Molecular Weight 1196.58 nRing 11
Solubility: LogS -0.507 nHRing 7
Solubility: LogP -2.23 No. of Aliphatic Rings 11
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 175 No. of Aliphatic Hetero Cycles 7
No. of Heavy Atom 83 No. of Aromatic Carbocycles 0
nHetero 27 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 92 No. of Saturated Hetero Cycles 7
No. of Carbon atom 56 No. of Saturated Rings 11
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 27 No. of Arom Bond 0
nHA 27 APOL 176.519
nHD 15 BPOL 113.127
Medicinal Chemistry Properties
QED 0.073
Synth 7.62
Natural Product Likeliness 1.83
NR-PPAR-gamma 0.132
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.313
Pgp-sub 0.065
HIA 1
CACO-2 -6.335
Distribution
MDCK 0.00117467
BBB 0.144
PPB 0.311555
VDSS -0.606
Metabolism
FU 0.132181
CYP1A2-inh 0
CYP1A2-sub 0.016
CYP2c19-inh 0
CYP2c19-sub 0.041
CYP2c9-inh 0
CYP2c9-sub 0.025
CYP2d6-inh 0
CYP2d6-sub 0.066
CYP3a4-inh 0.001
CYP3a4-sub 0.002
Excretion
CL -0.05
T12 0.025
Toxicity
hERG 0.027
Ames 0.06
ROA 0.909
SkinSen 0.002
Carcinogencity 0.025
EI 0.001
Respiratory 0.007
NR-Aromatase 0.645
Antiviral Prediction
Antiviral Yes
Prediction 0.875732
OSADHI

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