Chemoinformaics analysis of 10-HYDROXYCORONARIDINE


Molecular Weight 354.45 nRot 2
Heavy Atom Molecular Weight 328.242 nRig 24
Exact Molecular Weight 354.194 nRing 6
Solubility: LogS -3.801 nHRing 4
Solubility: LogP 3.274 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 52 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 26 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 4 No. Saturated Carbocycles 1
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 2
No. of Carbon atom 21 No. of Saturated Rings 3
No. of Nitrogen atom 2 No. of Arom Atom 9
No. of Oxygen atom 3 No. of Arom Bond 10
nHA 4 APOL 57.0126
nHD 2 BPOL 30.9674
QED 0.814
Synth 5.155
Natural Product Likeliness 1.798
NR-PPAR-gamma 0.006
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.013
Pgp-sub 0.807
HIA 0.01
CACO-2 -4.94
MDCK 0.0000129
BBB 0.988
PPB 0.813122
VDSS 2.573
FU 0.154673
CYP1A2-inh 0.491
CYP1A2-sub 0.918
CYP2c19-inh 0.514
CYP2c19-sub 0.839
CYP2c9-inh 0.127
CYP2c9-sub 0.868
CYP2d6-inh 0.949
CYP2d6-sub 0.918
CYP3a4-inh 0.866
CYP3a4-sub 0.692
CL 13.771
T12 0.557
hERG 0.258
Ames 0.067
ROA 0.916
SkinSen 0.038
Carcinogencity 0.513
EI 0.017
Respiratory 0.918
NR-Aromatase 0.019
Antiviral No
Prediction 0.590003