Chemoinformaics analysis of 6A,11A-DIHYDRO-6H-[1]BENZOFURO[3,2-C]CHROMENE


Molecular Weight 224.259 nRot 0
Heavy Atom Molecular Weight 212.163 nRig 19
Exact Molecular Weight 224.084 nRing 4
Solubility: LogS -2.025 nHRing 2
Solubility: LogP -0.581 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 29 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 17 No. of Aromatic Carbocycles 2
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 2 No. of Arom Bond 12
nHA 2 APOL 34.6555
nHD 0 BPOL 15.5105
QED 0.161
Synth 4.344
Natural Product Likeliness 1.708
NR-PPAR-gamma 0.011
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.002
Pgp-sub 0.974
HIA 0.866
CACO-2 -5.935
MDCK 0.0000871
BBB 0.547
PPB 0.324518
VDSS 0.357
FU 0.292349
CYP1A2-inh 0.004
CYP1A2-sub 0.101
CYP2c19-inh 0.004
CYP2c19-sub 0.841
CYP2c9-inh 0
CYP2c9-sub 0.256
CYP2d6-inh 0
CYP2d6-sub 0.289
CYP3a4-inh 0.008
CYP3a4-sub 0.073
CL 2.417
T12 0.637
hERG 0.143
Ames 0.08
ROA 0.045
SkinSen 0.066
Carcinogencity 0.057
EI 0.006
Respiratory 0.004
NR-Aromatase 0.635
Antiviral No
Prediction 0.75698