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

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Chemoinformaics analysis of 5-Aromadendranol


Physiochemical Properties
Molecular Weight 222.372 nRot 0
Heavy Atom Molecular Weight 196.164 nRig 13
Exact Molecular Weight 222.198 nRing 3
Solubility: LogS -5.139 nHRing 0
Solubility: LogP 4.361 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 3
Atoms Count 42 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 3
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 43.1886
nHD 1 BPOL 26.0834
Medicinal Chemistry Properties
QED 0.665
Synth 4.43
Natural Product Likeliness 2.633
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.146
Pgp-sub 0
HIA 0.005
CACO-2 -4.657
Distribution
MDCK 0.0000243
BBB 0.959
PPB 0.923679
VDSS 1.507
Metabolism
FU 0.0514051
CYP1A2-inh 0.257
CYP1A2-sub 0.62
CYP2c19-inh 0.139
CYP2c19-sub 0.939
CYP2c9-inh 0.302
CYP2c9-sub 0.724
CYP2d6-inh 0.011
CYP2d6-sub 0.852
CYP3a4-inh 0.055
CYP3a4-sub 0.312
Excretion
CL 12.243
T12 0.03
Toxicity
hERG 0.063
Ames 0.01
ROA 0.449
SkinSen 0.138
Carcinogencity 0.015
EI 0.013
Respiratory 0.971
NR-Aromatase 0.007
Antiviral Prediction
Antiviral Yes
Prediction 0.878158
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A database of all the medicinal plants having PAN India presence.
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