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

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Chemoinformaics analysis of cis-Sabinol


Physiochemical Properties
Molecular Weight 152.237 nRot 1
Heavy Atom Molecular Weight 136.109 nRig 8
Exact Molecular Weight 152.12 nRing 2
Solubility: LogS -2.158 nHRing 0
Solubility: LogP 1.693 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 27 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 28.1707
nHD 1 BPOL 16.0513
Medicinal Chemistry Properties
QED 0.569
Synth 4.761
Natural Product Likeliness 3.34
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.022
HIA 0.007
CACO-2 -4.381
Distribution
MDCK 0.0000286
BBB 0.935
PPB 0.377162
VDSS 1.06
Metabolism
FU 0.593697
CYP1A2-inh 0.064
CYP1A2-sub 0.304
CYP2c19-inh 0.027
CYP2c19-sub 0.844
CYP2c9-inh 0.022
CYP2c9-sub 0.245
CYP2d6-inh 0.01
CYP2d6-sub 0.383
CYP3a4-inh 0.036
CYP3a4-sub 0.253
Excretion
CL 8.523
T12 0.155
Toxicity
hERG 0.013
Ames 0.021
ROA 0.242
SkinSen 0.06
Carcinogencity 0.784
EI 0.972
Respiratory 0.442
NR-Aromatase 0.006
Antiviral Prediction
Antiviral No
Prediction 0.940574
OSADHI

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