Chemoinformaics analysis of Gzvmbxdquqrict-usognsfasa-


Molecular Weight 858.972 nRot 10
Heavy Atom Molecular Weight 792.444 nRig 43
Exact Molecular Weight 858.425 nRing 8
Solubility: LogS -2.817 nHRing 4
Solubility: LogP 1.369 No. of Aliphatic Rings 8
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 126 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 60 No. of Aromatic Carbocycles 0
nHetero 18 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 66 No. of Saturated Hetero Cycles 3
No. of Carbon atom 42 No. of Saturated Rings 7
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 18 No. of Arom Bond 0
nHA 18 APOL 128.584
nHD 9 BPOL 80.9677
QED 0.136
Synth 6.176
Natural Product Likeliness 2.146
NR-PPAR-gamma 0.29
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.007
Pgp-sub 0.988
HIA 0.995
CACO-2 -6.529
MDCK 0.0000964
BBB 0.056
PPB 0.840815
VDSS 0.043
FU 0.108257
CYP1A2-inh 0.001
CYP1A2-sub 0.452
CYP2c19-inh 0.002
CYP2c19-sub 0.077
CYP2c9-inh 0.001
CYP2c9-sub 0.006
CYP2d6-inh 0.01
CYP2d6-sub 0.08
CYP3a4-inh 0.032
CYP3a4-sub 0.028
CL 0.553
T12 0.775
hERG 0.5
Ames 0.081
ROA 0.393
SkinSen 0.935
Carcinogencity 0.056
EI 0.007
Respiratory 0.966
NR-Aromatase 0.844
Antiviral Yes
Prediction 0.854443