Chemoinformaics analysis of 2-PHENYL-PYRIDINE


Molecular Weight 155.2 nRot 1
Heavy Atom Molecular Weight 146.128 nRig 12
Exact Molecular Weight 155.074 nRing 2
Solubility: LogS -2.54 nHRing 1
Solubility: LogP 2.621 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 21 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 12 No. of Aromatic Carbocycles 1
nHetero 1 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 9 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 12
No. of Oxygen atom 0 No. of Arom Bond 12
nHA 1 APOL 25.4711
nHD 0 BPOL 10.1689
QED 0.617
Synth 1.292
Natural Product Likeliness -1.225
NR-PPAR-gamma 0.021
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.004
Pgp-sub 0.119
HIA 0.004
CACO-2 -4.199
MDCK 0.0000346
BBB 0.724
PPB 0.940573
VDSS 1.474
FU 0.0704489
CYP1A2-inh 0.982
CYP1A2-sub 0.275
CYP2c19-inh 0.623
CYP2c19-sub 0.127
CYP2c9-inh 0.103
CYP2c9-sub 0.352
CYP2d6-inh 0.006
CYP2d6-sub 0.204
CYP3a4-inh 0.01
CYP3a4-sub 0.233
CL 6.029
T12 0.508
hERG 0.077
Ames 0.743
ROA 0.596
SkinSen 0.331
Carcinogencity 0.512
EI 0.993
Respiratory 0.907
NR-Aromatase 0.017
Antiviral No
Prediction 0.706219