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

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Chemoinformaics analysis of Morphine


Physiochemical Properties
Molecular Weight 285.343 nRot 0
Heavy Atom Molecular Weight 266.191 nRig 22
Exact Molecular Weight 285.137 nRing 5
Solubility: LogS -2.277 nHRing 2
Solubility: LogP 1.034 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 2
Atoms Count 40 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 1
No. of Carbon atom 17 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 4 APOL 44.5651
nHD 2 BPOL 22.5069
Medicinal Chemistry Properties
QED 0.703
Synth 5.274
Natural Product Likeliness 2.589
NR-PPAR-gamma 0.007
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.002
HIA 0.009
CACO-2 -4.856
Distribution
MDCK 0.0000121
BBB 0.998
PPB 0.252322
VDSS 2.928
Metabolism
FU 0.722456
CYP1A2-inh 0.081
CYP1A2-sub 0.452
CYP2c19-inh 0.018
CYP2c19-sub 0.907
CYP2c9-inh 0.008
CYP2c9-sub 0.267
CYP2d6-inh 0.749
CYP2d6-sub 0.905
CYP3a4-inh 0.015
CYP3a4-sub 0.707
Excretion
CL 20.545
T12 0.418
Toxicity
hERG 0.212
Ames 0.019
ROA 0.444
SkinSen 0.808
Carcinogencity 0.078
EI 0.008
Respiratory 0.804
NR-Aromatase 0.005
Antiviral Prediction
Antiviral Yes
Prediction 0.706223
OSADHI

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