Chemoinformaics analysis of Dzdcbmukbvglri-mubjhlhtsa-


Molecular Weight 754.867 nRot 8
Heavy Atom Molecular Weight 696.403 nRig 38
Exact Molecular Weight 754.378 nRing 7
Solubility: LogS -3.332 nHRing 3
Solubility: LogP 2.419 No. of Aliphatic Rings 7
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 111 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 53 No. of Aromatic Carbocycles 0
nHetero 15 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 58 No. of Saturated Hetero Cycles 2
No. of Carbon atom 38 No. of Saturated Rings 6
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 15 No. of Arom Bond 0
nHA 15 APOL 114.164
nHD 6 BPOL 72.074
QED 0.147
Synth 5.882
Natural Product Likeliness 2.471
NR-PPAR-gamma 0.669
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.013
Pgp-sub 0.999
HIA 0.962
CACO-2 -6.411
MDCK 0.000132593
BBB 0.077
PPB 0.841711
VDSS 0.364
FU 0.113299
CYP1A2-inh 0.002
CYP1A2-sub 0.115
CYP2c19-inh 0.003
CYP2c19-sub 0.194
CYP2c9-inh 0.005
CYP2c9-sub 0.013
CYP2d6-inh 0.016
CYP2d6-sub 0.089
CYP3a4-inh 0.082
CYP3a4-sub 0.198
CL 0.982
T12 0.671
hERG 0.529
Ames 0.068
ROA 0.771
SkinSen 0.611
Carcinogencity 0.085
EI 0.008
Respiratory 0.966
NR-Aromatase 0.829
Antiviral Yes
Prediction 0.869586