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

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Chemoinformaics analysis of Leu-Leu


Physiochemical Properties
Molecular Weight 244.335 nRot 7
Heavy Atom Molecular Weight 220.143 nRig 2
Exact Molecular Weight 244.179 nRing 0
Solubility: LogS -1.453 nHRing 0
Solubility: LogP 1.24 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 41 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 0
No. of Carbon atom 12 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 3 APOL 40.649
nHD 3 BPOL 25.813
Medicinal Chemistry Properties
QED 0.622
Synth 2.683
Natural Product Likeliness 0.379
NR-PPAR-gamma 0.084
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.01
HIA 0.014
CACO-2 -5.724
Distribution
MDCK 0.00174284
BBB 0.661
PPB 0.122718
VDSS 0.423
Metabolism
FU 0.731654
CYP1A2-inh 0.033
CYP1A2-sub 0.046
CYP2c19-inh 0.074
CYP2c19-sub 0.094
CYP2c9-inh 0.036
CYP2c9-sub 0.882
CYP2d6-inh 0.049
CYP2d6-sub 0.161
CYP3a4-inh 0.029
CYP3a4-sub 0.092
Excretion
CL 6.322
T12 0.848
Toxicity
hERG 0.013
Ames 0.012
ROA 0.238
SkinSen 0.129
Carcinogencity 0.057
EI 0.047
Respiratory 0.231
NR-Aromatase 0.004
Antiviral Prediction
Antiviral Yes
Prediction 0.727281
OSADHI

A database of all the medicinal plants having PAN India presence.
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