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

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Chemoinformaics analysis of (-)-Hygroline


Physiochemical Properties
Molecular Weight 143.23 nRot 2
Heavy Atom Molecular Weight 126.094 nRig 5
Exact Molecular Weight 143.131 nRing 1
Solubility: LogS 0.121 nHRing 1
Solubility: LogP 0.429 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 27 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 10 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 1
No. of Carbon atom 8 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 2 APOL 26.5975
nHD 1 BPOL 18.7645
Medicinal Chemistry Properties
QED 0.619
Synth 3.221
Natural Product Likeliness 0.906
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.98
HIA 0.008
CACO-2 -4.551
Distribution
MDCK 0.0000191
BBB 0.814
PPB 0.140102
VDSS 1.461
Metabolism
FU 0.881783
CYP1A2-inh 0.028
CYP1A2-sub 0.494
CYP2c19-inh 0.024
CYP2c19-sub 0.952
CYP2c9-inh 0.002
CYP2c9-sub 0.19
CYP2d6-inh 0.025
CYP2d6-sub 0.865
CYP3a4-inh 0.002
CYP3a4-sub 0.605
Excretion
CL 7.491
T12 0.66
Toxicity
hERG 0.054
Ames 0.024
ROA 0.185
SkinSen 0.766
Carcinogencity 0.234
EI 0.689
Respiratory 0.939
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.937706
OSADHI

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