Chemoinformaics analysis of 7-Methoxy-6-methyl-9H-carbazol-3-ol


Molecular Weight 227.263 nRot 1
Heavy Atom Molecular Weight 214.159 nRig 15
Exact Molecular Weight 227.095 nRing 3
Solubility: LogS -4.914 nHRing 1
Solubility: LogP 6.757 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 30 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 0
No. of Carbon atom 14 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 34.7523
nHD 2 BPOL 15.3477
QED 0.07
Synth 4.875
Natural Product Likeliness 1.147
NR-PPAR-gamma 0.972
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.08
Pgp-sub 0.186
HIA 0.236
CACO-2 -5.328
MDCK 0.0000144
BBB 0.007
PPB 0.960577
VDSS 1.009
FU 0.0290972
CYP1A2-inh 0.007
CYP1A2-sub 0.681
CYP2c19-inh 0.031
CYP2c19-sub 0.062
CYP2c9-inh 0.04
CYP2c9-sub 0.878
CYP2d6-inh 0.003
CYP2d6-sub 0.288
CYP3a4-inh 0.07
CYP3a4-sub 0.027
CL 10.482
T12 0.074
hERG 0.022
Ames 0.051
ROA 0.368
SkinSen 0.964
Carcinogencity 0.021
EI 0.008
Respiratory 0.167
NR-Aromatase 0.934
Antiviral Yes
Prediction 0.714415