Chemoinformaics analysis of MONTANIC-ACID-MONOGLYCERIDE


Molecular Weight 320.298 nRot 10
Heavy Atom Molecular Weight 300.138 nRig 7
Exact Molecular Weight 320.122 nRing 1
Solubility: LogS -0.9 nHRing 1
Solubility: LogP -3.28 No. of Aliphatic Rings 1
Acid Count 3 No. of Aromatic Rings 0
Base Count 2 No. of Aliphatic Carbocycles Rings 0
Atoms Count 42 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 22 No. of Aromatic Carbocycles 0
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 1
No. of Carbon atom 12 No. of Saturated Rings 1
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 8 No. of Arom Bond 0
nHA 7 APOL 41.9919
nHD 6 BPOL 24.9481
QED 0.22
Synth 4.007
Natural Product Likeliness -0.124
NR-PPAR-gamma 0.001
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.312
HIA 0.927
CACO-2 -6.261
MDCK 0.00475128
BBB 0.397
PPB 0.185798
VDSS 0.442
FU 0.895307
CYP1A2-inh 0.001
CYP1A2-sub 0.027
CYP2c19-inh 0.02
CYP2c19-sub 0.048
CYP2c9-inh 0.002
CYP2c9-sub 0.285
CYP2d6-inh 0.002
CYP2d6-sub 0.154
CYP3a4-inh 0.002
CYP3a4-sub 0.001
CL 1.502
T12 0.92
hERG 0.009
Ames 0.016
ROA 0.003
SkinSen 0.235
Carcinogencity 0.026
EI 0.009
Respiratory 0.166
NR-Aromatase 0.002
Antiviral Yes
Prediction 0.833408