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

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Chemoinformaics analysis of PSEUDOSELAGINE


Physiochemical Properties
Molecular Weight 263.381 nRot 0
Heavy Atom Molecular Weight 238.181 nRig 20
Exact Molecular Weight 263.189 nRing 4
Solubility: LogS -2.566 nHRing 2
Solubility: LogP 1.71 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 2
Atoms Count 44 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 2
No. of Hydrogen atom 25 No. of Saturated Hetero Cycles 2
No. of Carbon atom 16 No. of Saturated Rings 4
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 3 APOL 46.0938
nHD 1 BPOL 27.6582
Medicinal Chemistry Properties
QED 0.726
Synth 5.62
Natural Product Likeliness 2.385
NR-PPAR-gamma 0.013
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.004
Pgp-sub 0.001
HIA 0.011
CACO-2 -4.678
Distribution
MDCK 0.0000124
BBB 0.993
PPB 0.223916
VDSS 4.488
Metabolism
FU 0.781805
CYP1A2-inh 0.028
CYP1A2-sub 0.694
CYP2c19-inh 0.082
CYP2c19-sub 0.928
CYP2c9-inh 0.071
CYP2c9-sub 0.176
CYP2d6-inh 0.229
CYP2d6-sub 0.749
CYP3a4-inh 0.204
CYP3a4-sub 0.727
Excretion
CL 18.703
T12 0.273
Toxicity
hERG 0.021
Ames 0.047
ROA 0.697
SkinSen 0.186
Carcinogencity 0.454
EI 0.017
Respiratory 0.604
NR-Aromatase 0.267
Antiviral Prediction
Antiviral Yes
Prediction 0.612554
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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