Chemoinformaics analysis of 2-METHYL-6-METHYLIDENEOCT-7-EN-4-OL


Molecular Weight 154.253 nRot 5
Heavy Atom Molecular Weight 136.109 nRig 5
Exact Molecular Weight 154.136 nRing 0
Solubility: LogS -0.632 nHRing 0
Solubility: LogP 0.32 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 29 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 1 APOL 29.5043
nHD 1 BPOL 18.0577
QED 0.587
Synth 3.236
Natural Product Likeliness 0.47
NR-PPAR-gamma 0.003
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.559
HIA 0.006
CACO-2 -4.657
MDCK 0.0001572
BBB 0.118
PPB 0.632804
VDSS 0.798
FU 0.596584
CYP1A2-inh 0.236
CYP1A2-sub 0.527
CYP2c19-inh 0.031
CYP2c19-sub 0.126
CYP2c9-inh 0.009
CYP2c9-sub 0.449
CYP2d6-inh 0.01
CYP2d6-sub 0.58
CYP3a4-inh 0.008
CYP3a4-sub 0.224
CL 10.954
T12 0.9
hERG 0.006
Ames 0.219
ROA 0.195
SkinSen 0.268
Carcinogencity 0.735
EI 0.874
Respiratory 0.402
NR-Aromatase 0.009
Antiviral No
Prediction 0.94698