Chemoinformaics analysis of Bgufcqcrkifyqv-iftjikkjsa-


Molecular Weight 376.405 nRot 1
Heavy Atom Molecular Weight 352.213 nRig 26
Exact Molecular Weight 376.152 nRing 5
Solubility: LogS -3.181 nHRing 3
Solubility: LogP 2.453 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 2
Atoms Count 51 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 27 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 2
No. of Carbon atom 20 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 5
No. of Oxygen atom 7 No. of Arom Bond 5
nHA 7 APOL 55.017
nHD 2 BPOL 31.021
QED 0.719
Synth 5.059
Natural Product Likeliness 3.522
NR-PPAR-gamma 0.061
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.89
Pgp-sub 0.891
HIA 0.006
CACO-2 -5.199
MDCK 0.0000872
BBB 0.471
PPB 0.748414
VDSS 1.512
FU 0.279179
CYP1A2-inh 0.021
CYP1A2-sub 0.311
CYP2c19-inh 0.024
CYP2c19-sub 0.374
CYP2c9-inh 0.012
CYP2c9-sub 0.034
CYP2d6-inh 0.004
CYP2d6-sub 0.14
CYP3a4-inh 0.775
CYP3a4-sub 0.294
CL 10.972
T12 0.081
hERG 0.035
Ames 0.027
ROA 0.986
SkinSen 0.135
Carcinogencity 0.961
EI 0.049
Respiratory 0.987
NR-Aromatase 0.788
Antiviral No
Prediction 0.56835