Chemoinformaics analysis of CISSOGENIN


Molecular Weight 366.498 nRot 1
Heavy Atom Molecular Weight 332.226 nRig 20
Exact Molecular Weight 366.241 nRing 4
Solubility: LogS -3.083 nHRing 0
Solubility: LogP 1.313 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 60 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 26 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 3
No. of Hydrogen atom 34 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 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 61.751
nHD 5 BPOL 34.109
QED 0.451
Synth 4.947
Natural Product Likeliness 3.172
NR-PPAR-gamma 0.074
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.022
HIA 0.735
CACO-2 -5.066
MDCK 0.000504786
BBB 0.798
PPB 0.391877
VDSS 1.083
FU 0.347423
CYP1A2-inh 0.008
CYP1A2-sub 0.374
CYP2c19-inh 0.005
CYP2c19-sub 0.762
CYP2c9-inh 0.007
CYP2c9-sub 0.505
CYP2d6-inh 0.002
CYP2d6-sub 0.219
CYP3a4-inh 0.017
CYP3a4-sub 0.132
CL 7.661
T12 0.128
hERG 0.013
Ames 0.047
ROA 0.815
SkinSen 0.018
Carcinogencity 0.233
EI 0.006
Respiratory 0.318
NR-Aromatase 0.32
Antiviral Yes
Prediction 0.560019