Chemoinformaics analysis of DI-O-METHYLAMENTOFLAVONE


Molecular Weight 566.518 nRot 5
Heavy Atom Molecular Weight 544.342 nRig 36
Exact Molecular Weight 566.121 nRing 6
Solubility: LogS -4.618 nHRing 2
Solubility: LogP 6.237 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 6
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 64 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 42 No. of Aromatic Carbocycles 4
nHetero 10 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 0
No. of Carbon atom 32 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 32
No. of Oxygen atom 10 No. of Arom Bond 34
nHA 10 APOL 76.1294
nHD 4 BPOL 30.7506
QED 0.203
Synth 2.98
Natural Product Likeliness 1.093
NR-PPAR-gamma 0.982
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.273
Pgp-sub 0.173
HIA 0.301
CACO-2 -5.078
MDCK 0.000014
BBB 0.001
PPB 0.927835
VDSS 0.5
FU 0.0752589
CYP1A2-inh 0.759
CYP1A2-sub 0.692
CYP2c19-inh 0.797
CYP2c19-sub 0.045
CYP2c9-inh 0.621
CYP2c9-sub 0.945
CYP2d6-inh 0.06
CYP2d6-sub 0.91
CYP3a4-inh 0.218
CYP3a4-sub 0.11
CL 4.14
T12 0.197
hERG 0.045
Ames 0.28
ROA 0.054
SkinSen 0.64
Carcinogencity 0.036
EI 0.816
Respiratory 0.081
NR-Aromatase 0.962
Antiviral Yes
Prediction 0.768548