Chemoinformaics analysis of INDENO[2,1-B]CHROMENE-6,11-DIONE


Molecular Weight 248.237 nRot 0
Heavy Atom Molecular Weight 240.173 nRig 8
Exact Molecular Weight 248.047 nRing 4
Solubility: LogS -2.638 nHRing 1
Solubility: LogP 2.117 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 27 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 19 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 8 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 3 No. of Arom Bond 17
nHA 3 APOL 34.4603
nHD 0 BPOL 11.4977
QED 0.637
Synth 2.016
Natural Product Likeliness 0.771
NR-PPAR-gamma 0.883
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.128
Pgp-sub 0.015
HIA 0.036
CACO-2 -4.605
MDCK 0.0000177
BBB 0.916
PPB 0.89747
VDSS 0.441
FU 0.0925238
CYP1A2-inh 0.947
CYP1A2-sub 0.931
CYP2c19-inh 0.363
CYP2c19-sub 0.853
CYP2c9-inh 0.242
CYP2c9-sub 0.825
CYP2d6-inh 0.021
CYP2d6-sub 0.859
CYP3a4-inh 0.09
CYP3a4-sub 0.449
CL 10.006
T12 0.924
hERG 0.03
Ames 0.034
ROA 0.318
SkinSen 0.938
Carcinogencity 0.114
EI 0.147
Respiratory 0.653
NR-Aromatase 0.804
Antiviral Yes
Prediction 0.663473