Chemoinformaics analysis of 2(10H)-Phenazinone, 10-methyl-


Molecular Weight 210.236 nRot 0
Heavy Atom Molecular Weight 200.156 nRig 17
Exact Molecular Weight 210.079 nRing 3
Solubility: LogS -2.755 nHRing 1
Solubility: LogP 1.906 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 26 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 16 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 13 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 14
No. of Oxygen atom 1 No. of Arom Bond 15
nHA 3 APOL 31.3799
nHD 0 BPOL 13.7501
QED 0.532
Synth 2.18
Natural Product Likeliness -0.782
NR-PPAR-gamma 0.004
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.008
Pgp-sub 0.004
HIA 0.005
CACO-2 -4.824
MDCK 0.0000222
BBB 0.921
PPB 0.92946
VDSS 0.496
FU 0.0410942
CYP1A2-inh 0.989
CYP1A2-sub 0.914
CYP2c19-inh 0.342
CYP2c19-sub 0.349
CYP2c9-inh 0.071
CYP2c9-sub 0.736
CYP2d6-inh 0.03
CYP2d6-sub 0.884
CYP3a4-inh 0.031
CYP3a4-sub 0.224
CL 7.383
T12 0.439
hERG 0.046
Ames 0.899
ROA 0.277
SkinSen 0.171
Carcinogencity 0.848
EI 0.95
Respiratory 0.824
NR-Aromatase 0.031
Antiviral Yes
Prediction 0.695136