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

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Chemoinformaics analysis of STIZOLAMINE


Physiochemical Properties
Molecular Weight 197.198 nRot 2
Heavy Atom Molecular Weight 186.11 nRig 9
Exact Molecular Weight 197.091 nRing 1
Solubility: LogS -1.721 nHRing 1
Solubility: LogP -1.735 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 3 No. of Aliphatic Carbocycles Rings 0
Atoms Count 25 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 14 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 7 No. of Saturated Rings 0
No. of Nitrogen atom 5 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 5 APOL 26.1287
nHD 3 BPOL 14.7533
Medicinal Chemistry Properties
QED 0.308
Synth 3.866
Natural Product Likeliness -0.043
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.998
HIA 0.015
CACO-2 -5.792
Distribution
MDCK 0.000114007
BBB 0.596
PPB 0.179891
VDSS 1.169
Metabolism
FU 0.624832
CYP1A2-inh 0.017
CYP1A2-sub 0.79
CYP2c19-inh 0.027
CYP2c19-sub 0.062
CYP2c9-inh 0.008
CYP2c9-sub 0.068
CYP2d6-inh 0.015
CYP2d6-sub 0.569
CYP3a4-inh 0.003
CYP3a4-sub 0.143
Excretion
CL 1.885
T12 0.77
Toxicity
hERG 0.069
Ames 0.029
ROA 0.693
SkinSen 0.142
Carcinogencity 0.1
EI 0.023
Respiratory 0.274
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.849862
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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