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

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Chemoinformaics analysis of FRANGUFOLINE


Physiochemical Properties
Molecular Weight 534.701 nRot 8
Heavy Atom Molecular Weight 492.365 nRig 26
Exact Molecular Weight 534.321 nRing 4
Solubility: LogS -4.266 nHRing 2
Solubility: LogP 4.147 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 81 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 39 No. of Aromatic Carbocycles 2
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 42 No. of Saturated Hetero Cycles 0
No. of Carbon atom 31 No. of Saturated Rings 0
No. of Nitrogen atom 4 No. of Arom Atom 12
No. of Oxygen atom 4 No. of Arom Bond 12
nHA 5 APOL 87.3833
nHD 3 BPOL 49.8947
Medicinal Chemistry Properties
QED 0.541
Synth 5.337
Natural Product Likeliness 0.999
NR-PPAR-gamma 0.041
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 1
Pgp-sub 0.002
HIA 0.012
CACO-2 -5.202
Distribution
MDCK 0.000015
BBB 0.491
PPB 0.918531
VDSS 1.578
Metabolism
FU 0.0265791
CYP1A2-inh 0.042
CYP1A2-sub 0.11
CYP2c19-inh 0.819
CYP2c19-sub 0.936
CYP2c9-inh 0.938
CYP2c9-sub 0.955
CYP2d6-inh 0.74
CYP2d6-sub 0.891
CYP3a4-inh 0.929
CYP3a4-sub 0.75
Excretion
CL 6.182
T12 0.382
Toxicity
hERG 0.832
Ames 0.251
ROA 0.518
SkinSen 0.024
Carcinogencity 0.093
EI 0.006
Respiratory 0.221
NR-Aromatase 0.013
Antiviral Prediction
Antiviral Yes
Prediction 0.746264
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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