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

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Chemoinformaics analysis of dl-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 -2.1 nHRing 1
Solubility: LogP 2.501 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 0.024
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.499
Pgp-sub 0.991
HIA 0.003
CACO-2 -4.923
Distribution
MDCK 0.0000187
BBB 0.992
PPB 0.704561
VDSS 2.279
Metabolism
FU 0.102882
CYP1A2-inh 0.713
CYP1A2-sub 0.929
CYP2c19-inh 0.285
CYP2c19-sub 0.914
CYP2c9-inh 0.012
CYP2c9-sub 0.563
CYP2d6-inh 0.763
CYP2d6-sub 0.926
CYP3a4-inh 0.14
CYP3a4-sub 0.896
Excretion
CL 4.667
T12 0.239
Toxicity
hERG 0.647
Ames 0.414
ROA 0.891
SkinSen 0.269
Carcinogencity 0.059
EI 0.012
Respiratory 0.935
NR-Aromatase 0.591
Antiviral Prediction
Antiviral Yes
Prediction 0.706455
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