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

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Chemoinformaics analysis of noradrenaline


Physiochemical Properties
Molecular Weight 169.18 nRot 2
Heavy Atom Molecular Weight 158.092 nRig 6
Exact Molecular Weight 169.074 nRing 1
Solubility: LogS -1.471 nHRing 0
Solubility: LogP -1.141 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 23 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 12 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 8 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 4 APOL 24.2007
nHD 4 BPOL 10.4653
Medicinal Chemistry Properties
QED 0.472
Synth 2.676
Natural Product Likeliness 1.194
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.083
HIA 0.208
CACO-2 -5.184
Distribution
MDCK 0.000123668
BBB 0.027
PPB 0.286509
VDSS 0.991
Metabolism
FU 0.711012
CYP1A2-inh 0.04
CYP1A2-sub 0.177
CYP2c19-inh 0.027
CYP2c19-sub 0.064
CYP2c9-inh 0.023
CYP2c9-sub 0.742
CYP2d6-inh 0.02
CYP2d6-sub 0.613
CYP3a4-inh 0.03
CYP3a4-sub 0.13
Excretion
CL 15.215
T12 0.858
Toxicity
hERG 0.03
Ames 0.731
ROA 0.713
SkinSen 0.92
Carcinogencity 0.064
EI 0.103
Respiratory 0.327
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.874597
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A database of all the medicinal plants having PAN India presence.
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