Chemoinformaics analysis of 2,6-Dimethoxy-3-methyl-9H-carbazole


Molecular Weight 241.29 nRot 2
Heavy Atom Molecular Weight 226.17 nRig 16
Exact Molecular Weight 241.11 nRing 3
Solubility: LogS -5.1 nHRing 1
Solubility: LogP 8.999 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 18 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 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 37.7559
nHD 1 BPOL 19.0901
QED 0.108
Synth 4.372
Natural Product Likeliness 1.365
NR-PPAR-gamma 0.986
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.009
Pgp-sub 0.003
HIA 0.008
CACO-2 -5.141
MDCK 0.0000142
BBB 0.005
PPB 0.954711
VDSS 1.306
FU 0.0126372
CYP1A2-inh 0.016
CYP1A2-sub 0.326
CYP2c19-inh 0.066
CYP2c19-sub 0.06
CYP2c9-inh 0.044
CYP2c9-sub 0.949
CYP2d6-inh 0.032
CYP2d6-sub 0.763
CYP3a4-inh 0.193
CYP3a4-sub 0.032
CL 7.238
T12 0.076
hERG 0.04
Ames 0.027
ROA 0.307
SkinSen 0.954
Carcinogencity 0.032
EI 0.011
Respiratory 0.825
NR-Aromatase 0.894
Antiviral Yes
Prediction 0.725972