Chemoinformaics analysis of  24-Methylene-31-Nor-5alpha-Lanost-9(11)-3beta-Ol


Molecular Weight 426.729 nRot 5
Heavy Atom Molecular Weight 376.329 nRig 21
Exact Molecular Weight 426.386 nRing 4
Solubility: LogS -6.914 nHRing 0
Solubility: LogP 7.184 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 4
Atoms Count 81 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 31 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 3
No. of Hydrogen atom 50 No. of Saturated Hetero Cycles 0
No. of Carbon atom 30 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 84.2417
nHD 1 BPOL 50.1604
QED 0.439
Synth 4.809
Natural Product Likeliness 3.488
NR-PPAR-gamma 0.007
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.785
Pgp-sub 0
HIA 0.004
CACO-2 -4.771
MDCK 0.00000808
BBB 0.802
PPB 0.99496
VDSS 2.104
FU 0.0203871
CYP1A2-inh 0.042
CYP1A2-sub 0.554
CYP2c19-inh 0.061
CYP2c19-sub 0.97
CYP2c9-inh 0.099
CYP2c9-sub 0.425
CYP2d6-inh 0.057
CYP2d6-sub 0.898
CYP3a4-inh 0.284
CYP3a4-sub 0.864
CL 13.286
T12 0.008
hERG 0.014
Ames 0.048
ROA 0.363
SkinSen 0.033
Carcinogencity 0.108
EI 0.009
Respiratory 0.667
NR-Aromatase 0.089
Antiviral No
Prediction 0.73364