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

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Chemoinformaics analysis of RIBOSE


Physiochemical Properties
Molecular Weight 230.109 nRot 3
Heavy Atom Molecular Weight 219.021 nRig 7
Exact Molecular Weight 230.019 nRing 1
Solubility: LogS -0.028 nHRing 1
Solubility: LogP -2.671 No. of Aliphatic Rings 1
Acid Count 2 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 25 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 14 No. of Aromatic Carbocycles 0
nHetero 9 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 1
No. of Carbon atom 5 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 8 No. of Arom Bond 0
nHA 6 APOL 25.7307
nHD 5 BPOL 23.2153
Medicinal Chemistry Properties
QED 0.398
Synth 5.033
Natural Product Likeliness 1.856
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.005
HIA 0.866
CACO-2 -5.863
Distribution
MDCK 0.00148112
BBB 0.431
PPB 0.10927
VDSS 0.315
Metabolism
FU 0.823057
CYP1A2-inh 0.005
CYP1A2-sub 0.038
CYP2c19-inh 0.026
CYP2c19-sub 0.049
CYP2c9-inh 0.001
CYP2c9-sub 0.495
CYP2d6-inh 0.008
CYP2d6-sub 0.13
CYP3a4-inh 0.005
CYP3a4-sub 0.006
Excretion
CL 1.565
T12 0.839
Toxicity
hERG 0.015
Ames 0.066
ROA 0.009
SkinSen 0.196
Carcinogencity 0.045
EI 0.095
Respiratory 0.205
NR-Aromatase 0.001
Antiviral Prediction
Antiviral No
Prediction 0.863253
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