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

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Chemoinformaics analysis of PERLOLINE


Physiochemical Properties
Molecular Weight 333.367 nRot 3
Heavy Atom Molecular Weight 316.231 nRig 23
Exact Molecular Weight 333.123 nRing 4
Solubility: LogS -6.011 nHRing 2
Solubility: LogP 3.586 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 4
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 42 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 25 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 20
No. of Oxygen atom 3 No. of Arom Bond 22
nHA 3 APOL 49.3415
nHD 1 BPOL 23.6745
Medicinal Chemistry Properties
QED 0.463
Synth 2.76
Natural Product Likeliness -0.008
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.032
Pgp-sub 0.999
HIA 0.012
CACO-2 -4.998
Distribution
MDCK 0.0000122
BBB 0.24
PPB 0.799625
VDSS 0.568
Metabolism
FU 0.063211
CYP1A2-inh 0.493
CYP1A2-sub 0.962
CYP2c19-inh 0.366
CYP2c19-sub 0.822
CYP2c9-inh 0.039
CYP2c9-sub 0.757
CYP2d6-inh 0.748
CYP2d6-sub 0.84
CYP3a4-inh 0.075
CYP3a4-sub 0.288
Excretion
CL 6.189
T12 0.525
Toxicity
hERG 0.36
Ames 0.968
ROA 0.69
SkinSen 0.734
Carcinogencity 0.886
EI 0.257
Respiratory 0.963
NR-Aromatase 0.91
Antiviral Prediction
Antiviral Yes
Prediction 0.69074
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A database of all the medicinal plants having PAN India presence.
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