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

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Chemoinformaics analysis of FULVANINE A


Physiochemical Properties
Molecular Weight 215.205 nRot 2
Heavy Atom Molecular Weight 202.101 nRig 11
Exact Molecular Weight 215.079 nRing 2
Solubility: LogS -0.802 nHRing 2
Solubility: LogP -1.285 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 28 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 15 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 1
No. of Carbon atom 9 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 5 APOL 28.8083
nHD 3 BPOL 17.3557
Medicinal Chemistry Properties
QED 0.471
Synth 4.753
Natural Product Likeliness 1.725
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.009
HIA 0.919
CACO-2 -5.287
Distribution
MDCK 0.00255918
BBB 0.267
PPB 0.0957122
VDSS 0.682
Metabolism
FU 0.89928
CYP1A2-inh 0.006
CYP1A2-sub 0.084
CYP2c19-inh 0.023
CYP2c19-sub 0.127
CYP2c9-inh 0.009
CYP2c9-sub 0.143
CYP2d6-inh 0.018
CYP2d6-sub 0.09
CYP3a4-inh 0.007
CYP3a4-sub 0.025
Excretion
CL 1.896
T12 0.843
Toxicity
hERG 0.011
Ames 0.043
ROA 0.211
SkinSen 0.836
Carcinogencity 0.369
EI 0.079
Respiratory 0.307
NR-Aromatase 0.006
Antiviral Prediction
Antiviral No
Prediction 0.97251
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A database of all the medicinal plants having PAN India presence.
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