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

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Chemoinformaics analysis of Lamiide


Physiochemical Properties
Molecular Weight 422.383 nRot 4
Heavy Atom Molecular Weight 396.175 nRig 7
Exact Molecular Weight 422.142 nRing 3
Solubility: LogS -2.264 nHRing 2
Solubility: LogP 1.7 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 55 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 29 No. of Aromatic Carbocycles 0
nHetero 12 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 1
No. of Carbon atom 17 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 12 No. of Arom Bond 0
nHA 12 APOL 55.3506
nHD 7 BPOL 33.8954
Medicinal Chemistry Properties
QED 0.767
Synth 1.347
Natural Product Likeliness -0.033
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.002
HIA 0.007
CACO-2 -4.829
Distribution
MDCK 0.0000116
BBB 0.6
PPB 0.392236
VDSS 0.311
Metabolism
FU 0.456172
CYP1A2-inh 0.046
CYP1A2-sub 0.907
CYP2c19-inh 0.039
CYP2c19-sub 0.062
CYP2c9-inh 0.018
CYP2c9-sub 0.259
CYP2d6-inh 0.011
CYP2d6-sub 0.14
CYP3a4-inh 0.018
CYP3a4-sub 0.111
Excretion
CL 7.305
T12 0.935
Toxicity
hERG 0.052
Ames 0.011
ROA 0.061
SkinSen 0.112
Carcinogencity 0.053
EI 0.979
Respiratory 0.083
NR-Aromatase 0.009
Antiviral Prediction
Antiviral Yes
Prediction 0.723641
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