Chemoinformaics analysis of DIHYDRO-BETA-CYCLOPYRETHROSIN


Molecular Weight 308.374 nRot 1
Heavy Atom Molecular Weight 284.182 nRig 18
Exact Molecular Weight 308.162 nRing 3
Solubility: LogS -2.092 nHRing 1
Solubility: LogP 1.329 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 46 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 22 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 1
No. of Carbon atom 17 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 5 APOL 48.403
nHD 1 BPOL 29.285
QED 0.591
Synth 4.651
Natural Product Likeliness 3.48
NR-PPAR-gamma 0.009
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.001
Pgp-sub 0.006
HIA 0.311
CACO-2 -4.811
MDCK 0.000168162
BBB 0.948
PPB 0.364814
VDSS 0.834
FU 0.676147
CYP1A2-inh 0.025
CYP1A2-sub 0.081
CYP2c19-inh 0.014
CYP2c19-sub 0.499
CYP2c9-inh 0.008
CYP2c9-sub 0.11
CYP2d6-inh 0.011
CYP2d6-sub 0.22
CYP3a4-inh 0.117
CYP3a4-sub 0.279
CL 9.747
T12 0.128
hERG 0.009
Ames 0.018
ROA 0.889
SkinSen 0.027
Carcinogencity 0.069
EI 0.013
Respiratory 0.711
NR-Aromatase 0.004
Antiviral Yes
Prediction 0.855349