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

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Chemoinformaics analysis of Majdine


Physiochemical Properties
Molecular Weight 428.485 nRot 3
Heavy Atom Molecular Weight 400.261 nRig 27
Exact Molecular Weight 428.195 nRing 5
Solubility: LogS -3.235 nHRing 4
Solubility: LogP 1.893 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 59 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 31 No. of Aromatic Carbocycles 1
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 2
No. of Carbon atom 23 No. of Saturated Rings 2
No. of Nitrogen atom 2 No. of Arom Atom 6
No. of Oxygen atom 6 No. of Arom Bond 6
nHA 7 APOL 64.0922
nHD 1 BPOL 39.0498
Medicinal Chemistry Properties
QED 0.738
Synth 4.881
Natural Product Likeliness 1.852
NR-PPAR-gamma 0.008
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.978
Pgp-sub 0.001
HIA 0.006
CACO-2 -4.731
Distribution
MDCK 0.0000186
BBB 0.995
PPB 0.750461
VDSS 1.333
Metabolism
FU 0.25108
CYP1A2-inh 0.034
CYP1A2-sub 0.823
CYP2c19-inh 0.14
CYP2c19-sub 0.95
CYP2c9-inh 0.193
CYP2c9-sub 0.303
CYP2d6-inh 0.811
CYP2d6-sub 0.815
CYP3a4-inh 0.877
CYP3a4-sub 0.931
Excretion
CL 8.77
T12 0.344
Toxicity
hERG 0.646
Ames 0.034
ROA 0.874
SkinSen 0.037
Carcinogencity 0.963
EI 0.006
Respiratory 0.943
NR-Aromatase 0.004
Antiviral Prediction
Antiviral Yes
Prediction 0.833843
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A database of all the medicinal plants having PAN India presence.
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