Chemoinformaics analysis of 10-Hydroxystrictosamide


Molecular Weight 514.531 nRot 4
Heavy Atom Molecular Weight 484.291 nRig 33
Exact Molecular Weight 514.195 nRing 6
Solubility: LogS -2.979 nHRing 5
Solubility: LogP 0.598 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 67 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 37 No. of Aromatic Carbocycles 1
nHetero 11 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 2
No. of Carbon atom 26 No. of Saturated Rings 2
No. of Nitrogen atom 2 No. of Arom Atom 9
No. of Oxygen atom 9 No. of Arom Bond 10
nHA 9 APOL 72.8418
nHD 6 BPOL 38.4522
QED 0.312
Synth 4.899
Natural Product Likeliness 2.293
NR-PPAR-gamma 0.004
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.002
Pgp-sub 0.987
HIA 0.844
CACO-2 -6.069
MDCK 0.0000176
BBB 0.238
PPB 0.758045
VDSS 0.961
FU 0.333251
CYP1A2-inh 0.032
CYP1A2-sub 0.075
CYP2c19-inh 0.035
CYP2c19-sub 0.087
CYP2c9-inh 0.011
CYP2c9-sub 0.217
CYP2d6-inh 0.009
CYP2d6-sub 0.15
CYP3a4-inh 0.05
CYP3a4-sub 0.137
CL 1.237
T12 0.821
hERG 0.232
Ames 0.515
ROA 0.772
SkinSen 0.137
Carcinogencity 0.963
EI 0.012
Respiratory 0.982
NR-Aromatase 0.025
Antiviral Yes
Prediction 0.893778