Chemoinformaics analysis of (4-METHOXYPHENYL)METHANOL


Molecular Weight 138.166 nRot 2
Heavy Atom Molecular Weight 128.086 nRig 6
Exact Molecular Weight 138.068 nRing 1
Solubility: LogS -1.028 nHRing 0
Solubility: LogP 1.14 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 20 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 10 No. of Aromatic Carbocycles 1
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 8 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 2 No. of Arom Bond 6
nHA 2 APOL 21.6319
nHD 1 BPOL 11.7681
QED 0.665
Synth 1.276
Natural Product Likeliness 0.231
NR-PPAR-gamma 0.002
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.034
HIA 0.004
CACO-2 -4.242
MDCK 0.0000198
BBB 0.796
PPB 0.559832
VDSS 1.154
FU 0.338053
CYP1A2-inh 0.852
CYP1A2-sub 0.934
CYP2c19-inh 0.547
CYP2c19-sub 0.749
CYP2c9-inh 0.051
CYP2c9-sub 0.736
CYP2d6-inh 0.299
CYP2d6-sub 0.897
CYP3a4-inh 0.048
CYP3a4-sub 0.512
CL 9.561
T12 0.832
hERG 0.072
Ames 0.031
ROA 0.025
SkinSen 0.534
Carcinogencity 0.495
EI 0.99
Respiratory 0.041
NR-Aromatase 0.008
Antiviral No
Prediction 0.912072