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

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Chemoinformaics analysis of MORPHINANDIENONE


Physiochemical Properties
Molecular Weight 237.302 nRot 0
Heavy Atom Molecular Weight 222.182 nRig 21
Exact Molecular Weight 237.115 nRing 4
Solubility: LogS -4.046 nHRing 1
Solubility: LogP 2.496 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 2
Atoms Count 33 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 18 No. of Aromatic Carbocycles 1
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 1
No. of Carbon atom 16 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 1 No. of Arom Bond 6
nHA 2 APOL 38.6239
nHD 1 BPOL 16.4861
Medicinal Chemistry Properties
QED 0.681
Synth 4.717
Natural Product Likeliness 1.466
NR-PPAR-gamma 0.766
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.876
Pgp-sub 0.002
HIA 0.004
CACO-2 -4.713
Distribution
MDCK 0.0000307
BBB 0.853
PPB 0.884574
VDSS 0.635
Metabolism
FU 0.0743151
CYP1A2-inh 0.061
CYP1A2-sub 0.604
CYP2c19-inh 0.406
CYP2c19-sub 0.933
CYP2c9-inh 0.071
CYP2c9-sub 0.541
CYP2d6-inh 0.059
CYP2d6-sub 0.764
CYP3a4-inh 0.151
CYP3a4-sub 0.746
Excretion
CL 9.405
T12 0.196
Toxicity
hERG 0.119
Ames 0.051
ROA 0.266
SkinSen 0.817
Carcinogencity 0.717
EI 0.017
Respiratory 0.872
NR-Aromatase 0.668
Antiviral Prediction
Antiviral No
Prediction 0.58496
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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