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

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Chemoinformaics analysis of Eriobofuran


Physiochemical Properties
Molecular Weight 244.246 nRot 2
Heavy Atom Molecular Weight 232.15 nRig 15
Exact Molecular Weight 244.074 nRing 3
Solubility: LogS -4.146 nHRing 1
Solubility: LogP 3.101 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 30 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 18 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 14 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 13
No. of Oxygen atom 4 No. of Arom Bond 15
nHA 4 APOL 34.5895
nHD 1 BPOL 17.2465
Medicinal Chemistry Properties
QED 0.751
Synth 2.104
Natural Product Likeliness 0.892
NR-PPAR-gamma 0.921
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.148
Pgp-sub 0.003
HIA 0.006
CACO-2 -4.862
Distribution
MDCK 0.0000359
BBB 0.144
PPB 0.905807
VDSS 0.692
Metabolism
FU 0.131495
CYP1A2-inh 0.979
CYP1A2-sub 0.968
CYP2c19-inh 0.702
CYP2c19-sub 0.813
CYP2c9-inh 0.557
CYP2c9-sub 0.866
CYP2d6-inh 0.518
CYP2d6-sub 0.894
CYP3a4-inh 0.463
CYP3a4-sub 0.413
Excretion
CL 10.355
T12 0.749
Toxicity
hERG 0.015
Ames 0.683
ROA 0.582
SkinSen 0.706
Carcinogencity 0.797
EI 0.626
Respiratory 0.744
NR-Aromatase 0.846
Antiviral Prediction
Antiviral Yes
Prediction 0.691564
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