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

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Chemoinformaics analysis of PSEUDOMORPHINE


Physiochemical Properties
Molecular Weight 568.67 nRot 1
Heavy Atom Molecular Weight 532.382 nRig 44
Exact Molecular Weight 568.257 nRing 10
Solubility: LogS -3 nHRing 4
Solubility: LogP 2.457 No. of Aliphatic Rings 8
Acid Count 0 No. of Aromatic Rings 2
Base Count 2 No. of Aliphatic Carbocycles Rings 4
Atoms Count 78 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 42 No. of Aromatic Carbocycles 2
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 4 No. Saturated Carbocycles 0
No. of Hydrogen atom 36 No. of Saturated Hetero Cycles 2
No. of Carbon atom 34 No. of Saturated Rings 2
No. of Nitrogen atom 2 No. of Arom Atom 12
No. of Oxygen atom 6 No. of Arom Bond 12
nHA 8 APOL 87.7965
nHD 4 BPOL 43.0075
Medicinal Chemistry Properties
QED 0.389
Synth 7.123
Natural Product Likeliness 1.351
NR-PPAR-gamma 0.116
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.002
Pgp-sub 0.011
HIA 0.053
CACO-2 -5.864
Distribution
MDCK 0.00000673
BBB 0.989
PPB 0.494313
VDSS 2.212
Metabolism
FU 0.448357
CYP1A2-inh 0.013
CYP1A2-sub 0.101
CYP2c19-inh 0.003
CYP2c19-sub 0.909
CYP2c9-inh 0.004
CYP2c9-sub 0.06
CYP2d6-inh 0.063
CYP2d6-sub 0.908
CYP3a4-inh 0.011
CYP3a4-sub 0.917
Excretion
CL 18.743
T12 0.052
Toxicity
hERG 0.27
Ames 0.038
ROA 0.142
SkinSen 0.899
Carcinogencity 0.017
EI 0.003
Respiratory 0.568
NR-Aromatase 0.017
Antiviral Prediction
Antiviral Yes
Prediction 0.843492
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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