Chemoinformaics analysis of  24-Methyl-31-Nor-Lanost-9(11)-En-3-Beta-Ol


Molecular Weight 440.756 nRot 4
Heavy Atom Molecular Weight 388.34 nRig 21
Exact Molecular Weight 440.402 nRing 4
Solubility: LogS -6.977 nHRing 0
Solubility: LogP 8.739 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 84 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 32 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 3
No. of Hydrogen atom 52 No. of Saturated Hetero Cycles 0
No. of Carbon atom 31 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 87.2452
nHD 1 BPOL 52.1668
QED 0.433
Synth 4.748
Natural Product Likeliness 3.3
NR-PPAR-gamma 0.098
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.344
Pgp-sub 0
HIA 0.005
CACO-2 -4.878
MDCK 0.0000116
BBB 0.088
PPB 0.95814
VDSS 2.671
FU 0.015301
CYP1A2-inh 0.049
CYP1A2-sub 0.35
CYP2c19-inh 0.098
CYP2c19-sub 0.96
CYP2c9-inh 0.172
CYP2c9-sub 0.368
CYP2d6-inh 0.088
CYP2d6-sub 0.219
CYP3a4-inh 0.515
CYP3a4-sub 0.681
CL 13.965
T12 0.014
hERG 0.096
Ames 0.001
ROA 0.317
SkinSen 0.416
Carcinogencity 0.026
EI 0.137
Respiratory 0.815
NR-Aromatase 0.271
Antiviral No
Prediction 0.549733