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

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Chemoinformaics analysis of BIFORMEN


Physiochemical Properties
Molecular Weight 272.476 nRot 3
Heavy Atom Molecular Weight 240.22 nRig 14
Exact Molecular Weight 272.25 nRing 2
Solubility: LogS -6.614 nHRing 0
Solubility: LogP 6.314 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 52 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 0
nHetero 0 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 0 APOL 54.7374
nHD 0 BPOL 32.1026
Medicinal Chemistry Properties
QED 0.417
Synth 4.131
Natural Product Likeliness 3.402
NR-PPAR-gamma 0.027
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.795
Pgp-sub 0
HIA 0.003
CACO-2 -4.675
Distribution
MDCK 0.00000784
BBB 0.342
PPB 0.929914
VDSS 2.188
Metabolism
FU 0.031535
CYP1A2-inh 0.159
CYP1A2-sub 0.645
CYP2c19-inh 0.328
CYP2c19-sub 0.95
CYP2c9-inh 0.317
CYP2c9-sub 0.706
CYP2d6-inh 0.088
CYP2d6-sub 0.917
CYP3a4-inh 0.425
CYP3a4-sub 0.388
Excretion
CL 6.615
T12 0.051
Toxicity
hERG 0.009
Ames 0.006
ROA 0.061
SkinSen 0.314
Carcinogencity 0.047
EI 0.919
Respiratory 0.816
NR-Aromatase 0.072
Antiviral Prediction
Antiviral No
Prediction 0.57088
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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