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

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Chemoinformaics analysis of AMMIDIN


Physiochemical Properties
Molecular Weight 270.284 nRot 3
Heavy Atom Molecular Weight 256.172 nRig 17
Exact Molecular Weight 270.089 nRing 3
Solubility: LogS -4.58 nHRing 2
Solubility: LogP 3.879 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 34 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 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 39.2631
nHD 0 BPOL 20.1209
Medicinal Chemistry Properties
QED 0.535
Synth 2.782
Natural Product Likeliness 1.567
NR-PPAR-gamma 0.105
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.018
Pgp-sub 0.011
HIA 0.008
CACO-2 -4.693
Distribution
MDCK 0.0000202
BBB 0.015
PPB 0.818485
VDSS 0.903
Metabolism
FU 0.107319
CYP1A2-inh 0.989
CYP1A2-sub 0.24
CYP2c19-inh 0.898
CYP2c19-sub 0.07
CYP2c9-inh 0.669
CYP2c9-sub 0.638
CYP2d6-inh 0.694
CYP2d6-sub 0.569
CYP3a4-inh 0.66
CYP3a4-sub 0.148
Excretion
CL 14.685
T12 0.497
Toxicity
hERG 0.037
Ames 0.364
ROA 0.09
SkinSen 0.164
Carcinogencity 0.799
EI 0.067
Respiratory 0.768
NR-Aromatase 0.833
Antiviral Prediction
Antiviral Yes
Prediction 0.76183
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

Our Other Tools

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  • Aromatic–Aromatic Interactions Database (A2ID)
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