Chemoinformaics analysis of 2-phenyL-2- (phenylmethyl)-


Molecular Weight 334.419 nRot 3
Heavy Atom Molecular Weight 312.243 nRig 25
Exact Molecular Weight 334.168 nRing 4
Solubility: LogS -3.654 nHRing 2
Solubility: LogP 2.508 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 47 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 25 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 2
No. of Carbon atom 21 No. of Saturated Rings 2
No. of Nitrogen atom 2 No. of Arom Atom 12
No. of Oxygen atom 2 No. of Arom Bond 12
nHA 3 APOL 53.5434
nHD 0 BPOL 27.2266
QED 0.809
Synth 2.502
Natural Product Likeliness -0.943
NR-PPAR-gamma 0.005
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.985
Pgp-sub 0.057
HIA 0.072
CACO-2 -5.086
MDCK 0.0000207
BBB 0.937
PPB 0.877105
VDSS 1.583
FU 0.184907
CYP1A2-inh 0.082
CYP1A2-sub 0.58
CYP2c19-inh 0.318
CYP2c19-sub 0.837
CYP2c9-inh 0.077
CYP2c9-sub 0.049
CYP2d6-inh 0.702
CYP2d6-sub 0.38
CYP3a4-inh 0.07
CYP3a4-sub 0.907
CL 5.617
T12 0.111
hERG 0.356
Ames 0.135
ROA 0.532
SkinSen 0.186
Carcinogencity 0.355
EI 0.009
Respiratory 0.558
NR-Aromatase 0.013
Antiviral No
Prediction 0.677796