Chemoinformaics analysis of Delta-Amino-Levulinic-Acid


Molecular Weight 275.497 nRot 7
Heavy Atom Molecular Weight 250.297 nRig 2
Exact Molecular Weight 275.137 nRing 0
Solubility: LogS -3.149 nHRing 0
Solubility: LogP 2.387 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 42 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 25 No. of Saturated Hetero Cycles 0
No. of Carbon atom 11 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 4 APOL 49.6058
nHD 1 BPOL 60.0022
QED 0.723
Synth 3.248
Natural Product Likeliness 0.055
NR-PPAR-gamma 0.005
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.011
Pgp-sub 0.095
HIA 0.948
CACO-2 -5.403
MDCK 0.000247118
BBB 0.022
PPB 0.879477
VDSS 1.054
FU 0.144851
CYP1A2-inh 0.112
CYP1A2-sub 0.951
CYP2c19-inh 0.042
CYP2c19-sub 0.198
CYP2c9-inh 0.008
CYP2c9-sub 0.548
CYP2d6-inh 0.058
CYP2d6-sub 0.626
CYP3a4-inh 0.019
CYP3a4-sub 0.152
CL 3.387
T12 0.939
hERG 0.009
Ames 0.023
ROA 0.004
SkinSen 0.903
Carcinogencity 0.093
EI 0.528
Respiratory 0.966
NR-Aromatase 0.008
Antiviral Yes
Prediction 0.654042