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

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Chemoinformaics analysis of Z-5-Nonadecene


Physiochemical Properties
Molecular Weight 266.513 nRot 15
Heavy Atom Molecular Weight 228.209 nRig 1
Exact Molecular Weight 266.297 nRing 0
Solubility: LogS -4.363 nHRing 0
Solubility: LogP 8.31 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 57 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 0 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 38 No. of Saturated Hetero Cycles 0
No. of Carbon atom 19 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 0 APOL 57.0681
nHD 0 BPOL 38.1219
Medicinal Chemistry Properties
QED 0.213
Synth 1.826
Natural Product Likeliness 0.801
NR-PPAR-gamma 0.07
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0
HIA 0.011
CACO-2 -4.877
Distribution
MDCK 0.0000142
BBB 0.084
PPB 0.994983
VDSS 4.748
Metabolism
FU 0.0115429
CYP1A2-inh 0.161
CYP1A2-sub 0.194
CYP2c19-inh 0.319
CYP2c19-sub 0.07
CYP2c9-inh 0.103
CYP2c9-sub 0.96
CYP2d6-inh 0.44
CYP2d6-sub 0.27
CYP3a4-inh 0.283
CYP3a4-sub 0.054
Excretion
CL 4.115
T12 0.354
Toxicity
hERG 0.41
Ames 0.03
ROA 0.036
SkinSen 0.965
Carcinogencity 0.04
EI 0.981
Respiratory 0.505
NR-Aromatase 0.076
Antiviral Prediction
Antiviral Yes
Prediction 0.561978
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A database of all the medicinal plants having PAN India presence.
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