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

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Chemoinformaics analysis of Strictosidine


Physiochemical Properties
Molecular Weight 530.574 nRot 7
Heavy Atom Molecular Weight 496.302 nRig 29
Exact Molecular Weight 530.226 nRing 5
Solubility: LogS -2.029 nHRing 4
Solubility: LogP 0.042 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 72 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 38 No. of Aromatic Carbocycles 1
nHetero 11 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 34 No. of Saturated Hetero Cycles 1
No. of Carbon atom 27 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 9
No. of Oxygen atom 9 No. of Arom Bond 10
nHA 10 APOL 77.179
nHD 6 BPOL 43.061
Medicinal Chemistry Properties
QED 0.218
Synth 4.854
Natural Product Likeliness 2.186
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.077
HIA 0.918
CACO-2 -5.74
Distribution
MDCK 0.0000173
BBB 0.729
PPB 0.40941
VDSS 0.796
Metabolism
FU 0.60644
CYP1A2-inh 0.016
CYP1A2-sub 0.097
CYP2c19-inh 0.017
CYP2c19-sub 0.24
CYP2c9-inh 0.002
CYP2c9-sub 0.31
CYP2d6-inh 0.012
CYP2d6-sub 0.358
CYP3a4-inh 0.186
CYP3a4-sub 0.483
Excretion
CL 1.393
T12 0.264
Toxicity
hERG 0.606
Ames 0.544
ROA 0.924
SkinSen 0.036
Carcinogencity 0.913
EI 0.005
Respiratory 0.954
NR-Aromatase 0.011
Antiviral Prediction
Antiviral Yes
Prediction 0.863091
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