Chemoinformaics analysis of 10-METHOXY-3,3,5-TRIMETHYL-11H-PYRANO[3,2-A]CARBAZOLE


Molecular Weight 293.366 nRot 1
Heavy Atom Molecular Weight 274.214 nRig 25
Exact Molecular Weight 293.142 nRing 4
Solubility: LogS -1.415 nHRing 2
Solubility: LogP -1.178 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 41 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 0
No. of Carbon atom 19 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 13
No. of Oxygen atom 2 No. of Arom Bond 15
nHA 2 APOL 47.1031
nHD 1 BPOL 23.1029
QED 0.125
Synth 4.987
Natural Product Likeliness 2.759
NR-PPAR-gamma 0.008
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.705
HIA 0.963
CACO-2 -6.38
MDCK 0.000133695
BBB 0.692
PPB 0.463774
VDSS 0.334
FU 0.533896
CYP1A2-inh 0.007
CYP1A2-sub 0.033
CYP2c19-inh 0.006
CYP2c19-sub 0.061
CYP2c9-inh 0.001
CYP2c9-sub 0.129
CYP2d6-inh 0.003
CYP2d6-sub 0.157
CYP3a4-inh 0.051
CYP3a4-sub 0.056
CL 2.215
T12 0.682
hERG 0.024
Ames 0.085
ROA 0.897
SkinSen 0.018
Carcinogencity 0.807
EI 0.005
Respiratory 0.364
NR-Aromatase 0.029
Antiviral Yes
Prediction 0.70545