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

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Chemoinformaics analysis of Lycodine


Physiochemical Properties
Molecular Weight 242.366 nRot 0
Heavy Atom Molecular Weight 220.19 nRig 20
Exact Molecular Weight 242.178 nRing 4
Solubility: LogS -2.02 nHRing 2
Solubility: LogP 2.705 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 2
Atoms Count 40 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 18 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 1
nBridge Head 2 No. Saturated Carbocycles 1
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 1
No. of Carbon atom 16 No. of Saturated Rings 2
No. of Nitrogen atom 2 No. of Arom Atom 6
No. of Oxygen atom 0 No. of Arom Bond 6
nHA 2 APOL 43.5894
nHD 1 BPOL 23.7806
Medicinal Chemistry Properties
QED 0.756
Synth 4.84
Natural Product Likeliness 1.442
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.997
HIA 0.004
CACO-2 -4.739
Distribution
MDCK 0.0000158
BBB 0.951
PPB 0.246501
VDSS 3.053
Metabolism
FU 0.630842
CYP1A2-inh 0.129
CYP1A2-sub 0.852
CYP2c19-inh 0.304
CYP2c19-sub 0.924
CYP2c9-inh 0.058
CYP2c9-sub 0.717
CYP2d6-inh 0.28
CYP2d6-sub 0.879
CYP3a4-inh 0.451
CYP3a4-sub 0.431
Excretion
CL 6.396
T12 0.508
Toxicity
hERG 0.387
Ames 0.189
ROA 0.825
SkinSen 0.947
Carcinogencity 0.071
EI 0.035
Respiratory 0.969
NR-Aromatase 0.057
Antiviral Prediction
Antiviral Yes
Prediction 0.652513
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