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

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Chemoinformaics analysis of ALLANTOIC-ACID


Physiochemical Properties
Molecular Weight 176.132 nRot 3
Heavy Atom Molecular Weight 168.068 nRig 3
Exact Molecular Weight 176.055 nRing 0
Solubility: LogS -1.281 nHRing 0
Solubility: LogP -2.725 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 20 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 12 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 8 No. of Saturated Hetero Cycles 0
No. of Carbon atom 4 No. of Saturated Rings 0
No. of Nitrogen atom 4 No. of Arom Atom 0
No. of Oxygen atom 4 No. of Arom Bond 0
nHA 3 APOL 19.6223
nHD 5 BPOL 10.6297
Medicinal Chemistry Properties
QED 0.308
Synth 2.83
Natural Product Likeliness 0.182
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.181
HIA 0.013
CACO-2 -6.561
Distribution
MDCK 0.00127701
BBB 0.74
PPB 0.0799402
VDSS 0.349
Metabolism
FU 0.796801
CYP1A2-inh 0.003
CYP1A2-sub 0.05
CYP2c19-inh 0.048
CYP2c19-sub 0.04
CYP2c9-inh 0.143
CYP2c9-sub 0.22
CYP2d6-inh 0.02
CYP2d6-sub 0.136
CYP3a4-inh 0.003
CYP3a4-sub 0.001
Excretion
CL 2.099
T12 0.501
Toxicity
hERG 0.002
Ames 0.024
ROA 0.001
SkinSen 0.505
Carcinogencity 0.007
EI 0.135
Respiratory 0.006
NR-Aromatase 0.002
Antiviral Prediction
Antiviral No
Prediction 0.886473
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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