Chemoinformaics analysis of NOROXYHYDRASTININE


Molecular Weight 191.186 nRot 0
Heavy Atom Molecular Weight 182.114 nRig 16
Exact Molecular Weight 191.058 nRing 3
Solubility: LogS -2.605 nHRing 2
Solubility: LogP 1.141 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 23 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 14 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 9 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 3 APOL 26.2071
nHD 1 BPOL 13.9389
QED 0.656
Synth 2.377
Natural Product Likeliness 0.865
NR-PPAR-gamma 0.004
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.002
Pgp-sub 0.101
HIA 0.002
CACO-2 -4.653
MDCK 0.0000155
BBB 0.671
PPB 0.697352
VDSS 1.697
FU 0.277126
CYP1A2-inh 0.984
CYP1A2-sub 0.385
CYP2c19-inh 0.667
CYP2c19-sub 0.36
CYP2c9-inh 0.114
CYP2c9-sub 0.674
CYP2d6-inh 0.895
CYP2d6-sub 0.435
CYP3a4-inh 0.63
CYP3a4-sub 0.17
CL 10.214
T12 0.601
hERG 0.022
Ames 0.548
ROA 0.033
SkinSen 0.175
Carcinogencity 0.925
EI 0.064
Respiratory 0.041
NR-Aromatase 0.027
Antiviral No
Prediction 0.871655