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

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Chemoinformaics analysis of Globulol


Physiochemical Properties
Molecular Weight 222.372 nRot 0
Heavy Atom Molecular Weight 196.164 nRig 13
Exact Molecular Weight 222.198 nRing 3
Solubility: LogS -4.051 nHRing 0
Solubility: LogP 3.979 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 3
Atoms Count 42 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 3
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 43.1886
nHD 1 BPOL 26.0834
Medicinal Chemistry Properties
QED 0.665
Synth 4.218
Natural Product Likeliness 3.125
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.039
Pgp-sub 0
HIA 0.004
CACO-2 -4.609
Distribution
MDCK 0.0000315
BBB 0.88
PPB 0.934419
VDSS 1.179
Metabolism
FU 0.0663845
CYP1A2-inh 0.195
CYP1A2-sub 0.616
CYP2c19-inh 0.097
CYP2c19-sub 0.938
CYP2c9-inh 0.25
CYP2c9-sub 0.485
CYP2d6-inh 0.01
CYP2d6-sub 0.567
CYP3a4-inh 0.08
CYP3a4-sub 0.425
Excretion
CL 18.537
T12 0.083
Toxicity
hERG 0.029
Ames 0.008
ROA 0.436
SkinSen 0.057
Carcinogencity 0.029
EI 0.018
Respiratory 0.926
NR-Aromatase 0.004
Antiviral Prediction
Antiviral Yes
Prediction 0.876158
OSADHI

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