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

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Chemoinformaics analysis of 2-NAPHTHOL


Physiochemical Properties
Molecular Weight 144.173 nRot 0
Heavy Atom Molecular Weight 136.109 nRig 11
Exact Molecular Weight 144.058 nRing 2
Solubility: LogS -2.479 nHRing 0
Solubility: LogP 2.762 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 19 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 2
nHetero 1 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 10 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 10
No. of Oxygen atom 1 No. of Arom Bond 11
nHA 1 APOL 22.8363
nHD 1 BPOL 8.02566
Medicinal Chemistry Properties
QED 0.602
Synth 1.426
Natural Product Likeliness 0.422
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.003
Pgp-sub 0.008
HIA 0.012
CACO-2 -4.416
Distribution
MDCK 0.0000193
BBB 0.25
PPB 0.931718
VDSS 1.466
Metabolism
FU 0.072773
CYP1A2-inh 0.988
CYP1A2-sub 0.408
CYP2c19-inh 0.781
CYP2c19-sub 0.126
CYP2c9-inh 0.287
CYP2c9-sub 0.856
CYP2d6-inh 0.839
CYP2d6-sub 0.875
CYP3a4-inh 0.208
CYP3a4-sub 0.225
Excretion
CL 14.731
T12 0.763
Toxicity
hERG 0.037
Ames 0.582
ROA 0.179
SkinSen 0.931
Carcinogencity 0.791
EI 0.995
Respiratory 0.75
NR-Aromatase 0.031
Antiviral Prediction
Antiviral No
Prediction 0.811467
OSADHI

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