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

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Chemoinformaics analysis of Nortropine


Physiochemical Properties
Molecular Weight 127.187 nRot 0
Heavy Atom Molecular Weight 114.083 nRig 9
Exact Molecular Weight 127.1 nRing 2
Solubility: LogS 0.363 nHRing 2
Solubility: LogP -0.671 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 22 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 9 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 2
No. of Carbon atom 7 No. of Saturated Rings 2
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 2 APOL 22.2603
nHD 2 BPOL 13.6117
Medicinal Chemistry Properties
QED 0.489
Synth 4.707
Natural Product Likeliness 1.77
NR-PPAR-gamma 0.02
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.993
HIA 0.074
CACO-2 -5.044
Distribution
MDCK 0.0000396
BBB 0.134
PPB 0.0971049
VDSS 1.912
Metabolism
FU 0.924215
CYP1A2-inh 0.032
CYP1A2-sub 0.407
CYP2c19-inh 0.038
CYP2c19-sub 0.378
CYP2c9-inh 0.005
CYP2c9-sub 0.089
CYP2d6-inh 0.005
CYP2d6-sub 0.283
CYP3a4-inh 0.003
CYP3a4-sub 0.194
Excretion
CL 8.095
T12 0.398
Toxicity
hERG 0.038
Ames 0.413
ROA 0.022
SkinSen 0.941
Carcinogencity 0.524
EI 0.712
Respiratory 0.944
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.959858
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