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

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Chemoinformaics analysis of PROPYLENE


Physiochemical Properties
Molecular Weight 42.081 nRot 0
Heavy Atom Molecular Weight 36.033 nRig 1
Exact Molecular Weight 42.047 nRing 0
Solubility: LogS -2.031 nHRing 0
Solubility: LogP 1.758 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 9 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 3 No. of Aromatic Carbocycles 0
nHetero 0 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 6 No. of Saturated Hetero Cycles 0
No. of Carbon atom 3 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 9.01076
nHD 0 BPOL 6.01924
Medicinal Chemistry Properties
QED 0.357
Synth 3.007
Natural Product Likeliness 1.071
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.001
HIA 0.003
CACO-2 -4.165
Distribution
MDCK 0.0000341
BBB 0.995
PPB 0.627488
VDSS 1.581
Metabolism
FU 0.521864
CYP1A2-inh 0.665
CYP1A2-sub 0.831
CYP2c19-inh 0.128
CYP2c19-sub 0.879
CYP2c9-inh 0.014
CYP2c9-sub 0.791
CYP2d6-inh 0.04
CYP2d6-sub 0.842
CYP3a4-inh 0.018
CYP3a4-sub 0.276
Excretion
CL 8.287
T12 0.754
Toxicity
hERG 0.01
Ames 0.762
ROA 0.063
SkinSen 0.356
Carcinogencity 0.115
EI 0.996
Respiratory 0.589
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.918361
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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