Chemoinformaics analysis of CIS-5-HYDROXY-L-PIPECOLIC ACID


Molecular Weight 145.158 nRot 1
Heavy Atom Molecular Weight 134.07 nRig 7
Exact Molecular Weight 145.074 nRing 1
Solubility: LogS -0.579 nHRing 1
Solubility: LogP -2.531 No. of Aliphatic Rings 1
Acid Count 1 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 21 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 10 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 1
No. of Carbon atom 6 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 3 APOL 20.8607
nHD 3 BPOL 12.4733
QED 0.451
Synth 3.361
Natural Product Likeliness 1.51
NR-PPAR-gamma 0.006
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.006
HIA 0.539
CACO-2 -5.977
MDCK 0.000387331
BBB 0.448
PPB 0.0871257
VDSS 0.528
FU 0.900502
CYP1A2-inh 0.009
CYP1A2-sub 0.057
CYP2c19-inh 0.04
CYP2c19-sub 0.069
CYP2c9-inh 0.005
CYP2c9-sub 0.233
CYP2d6-inh 0.009
CYP2d6-sub 0.226
CYP3a4-inh 0.005
CYP3a4-sub 0.023
CL 4.867
T12 0.711
hERG 0.014
Ames 0.009
ROA 0.037
SkinSen 0.239
Carcinogencity 0.083
EI 0.105
Respiratory 0.338
NR-Aromatase 0.002
Antiviral No
Prediction 0.952995