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

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Chemoinformaics analysis of Strictinin


Physiochemical Properties
Molecular Weight 634.455 nRot 2
Heavy Atom Molecular Weight 612.279 nRig 35
Exact Molecular Weight 634.081 nRing 5
Solubility: LogS -2.92 nHRing 2
Solubility: LogP 0.637 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 67 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 45 No. of Aromatic Carbocycles 3
nHetero 18 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 1
No. of Carbon atom 27 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 18
No. of Oxygen atom 18 No. of Arom Bond 18
nHA 18 APOL 74.1954
nHD 11 BPOL 31.6186
Medicinal Chemistry Properties
QED 0.098
Synth 5.104
Natural Product Likeliness 1.588
NR-PPAR-gamma 0.633
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.058
Pgp-sub 0.008
HIA 0.992
CACO-2 -6.892
Distribution
MDCK 0.00000776
BBB 0.004
PPB 0.893079
VDSS 0.561
Metabolism
FU 0.232384
CYP1A2-inh 0.038
CYP1A2-sub 0.009
CYP2c19-inh 0.008
CYP2c19-sub 0.028
CYP2c9-inh 0.099
CYP2c9-sub 0.031
CYP2d6-inh 0.001
CYP2d6-sub 0.091
CYP3a4-inh 0.015
CYP3a4-sub 0.003
Excretion
CL 8.978
T12 0.972
Toxicity
hERG 0.058
Ames 0.178
ROA 0
SkinSen 0.919
Carcinogencity 0.018
EI 0.883
Respiratory 0.004
NR-Aromatase 0.251
Antiviral Prediction
Antiviral Yes
Prediction 0.750759
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