Chemoinformaics analysis of DOLICHOSTERONE


Molecular Weight 462.671 nRot 5
Heavy Atom Molecular Weight 416.303 nRig 22
Exact Molecular Weight 462.335 nRing 4
Solubility: LogS -4.192 nHRing 0
Solubility: LogP 3.057 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 79 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 33 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 46 No. of Saturated Hetero Cycles 0
No. of Carbon atom 28 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 5 No. of Arom Bond 0
nHA 5 APOL 81.4425
nHD 4 BPOL 47.0155
QED 0.467
Synth 5.107
Natural Product Likeliness 2.555
NR-PPAR-gamma 0.007
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.001
Pgp-sub 0.033
HIA 0.186
CACO-2 -4.847
MDCK 0.0000386
BBB 0.72
PPB 0.868427
VDSS 1.654
FU 0.0539721
CYP1A2-inh 0.009
CYP1A2-sub 0.459
CYP2c19-inh 0.005
CYP2c19-sub 0.7
CYP2c9-inh 0.04
CYP2c9-sub 0.421
CYP2d6-inh 0
CYP2d6-sub 0.482
CYP3a4-inh 0.025
CYP3a4-sub 0.245
CL 13.523
T12 0.075
hERG 0.023
Ames 0.033
ROA 0.688
SkinSen 0.02
Carcinogencity 0.022
EI 0.007
Respiratory 0.75
NR-Aromatase 0.003
Antiviral Yes
Prediction 0.76679