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

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Chemoinformaics analysis of RIBALINIDINE


Physiochemical Properties
Molecular Weight 275.304 nRot 0
Heavy Atom Molecular Weight 258.168 nRig 17
Exact Molecular Weight 275.116 nRing 3
Solubility: LogS -3.179 nHRing 2
Solubility: LogP 0.921 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 37 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 20 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 10
No. of Oxygen atom 4 No. of Arom Bond 11
nHA 5 APOL 40.6935
nHD 2 BPOL 21.3685
Medicinal Chemistry Properties
QED 0.76
Synth 3.424
Natural Product Likeliness 1.905
NR-PPAR-gamma 0.009
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.19
HIA 0.032
CACO-2 -4.692
Distribution
MDCK 0.0000152
BBB 0.517
PPB 0.787818
VDSS 0.905
Metabolism
FU 0.132796
CYP1A2-inh 0.898
CYP1A2-sub 0.823
CYP2c19-inh 0.121
CYP2c19-sub 0.565
CYP2c9-inh 0.103
CYP2c9-sub 0.886
CYP2d6-inh 0.077
CYP2d6-sub 0.553
CYP3a4-inh 0.019
CYP3a4-sub 0.336
Excretion
CL 7.321
T12 0.302
Toxicity
hERG 0.01
Ames 0.041
ROA 0.209
SkinSen 0.074
Carcinogencity 0.442
EI 0.037
Respiratory 0.288
NR-Aromatase 0.046
Antiviral Prediction
Antiviral Yes
Prediction 0.79327
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A database of all the medicinal plants having PAN India presence.
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