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

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Chemoinformaics analysis of N-nornuciferine


Physiochemical Properties
Molecular Weight 281.355 nRot 2
Heavy Atom Molecular Weight 262.203 nRig 20
Exact Molecular Weight 281.142 nRing 4
Solubility: LogS -1.808 nHRing 1
Solubility: LogP 2.757 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 40 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 21 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 12
No. of Oxygen atom 2 No. of Arom Bond 12
nHA 3 APOL 45.4331
nHD 1 BPOL 23.1029
Medicinal Chemistry Properties
QED 0.917
Synth 2.868
Natural Product Likeliness 1.432
NR-PPAR-gamma 0.025
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.206
Pgp-sub 0.955
HIA 0.003
CACO-2 -4.752
Distribution
MDCK 0.0000185
BBB 0.986
PPB 0.775676
VDSS 2.416
Metabolism
FU 0.0907708
CYP1A2-inh 0.632
CYP1A2-sub 0.923
CYP2c19-inh 0.225
CYP2c19-sub 0.912
CYP2c9-inh 0.009
CYP2c9-sub 0.523
CYP2d6-inh 0.758
CYP2d6-sub 0.925
CYP3a4-inh 0.097
CYP3a4-sub 0.907
Excretion
CL 3.29
T12 0.2
Toxicity
hERG 0.755
Ames 0.513
ROA 0.863
SkinSen 0.296
Carcinogencity 0.039
EI 0.01
Respiratory 0.909
NR-Aromatase 0.514
Antiviral Prediction
Antiviral Yes
Prediction 0.706455
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A database of all the medicinal plants having PAN India presence.
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