Chemoinformaics analysis of 1-PHENYL-2,3-DIHYDRO-1H-INDENE


Molecular Weight 194.277 nRot 1
Heavy Atom Molecular Weight 180.165 nRig 2
Exact Molecular Weight 194.11 nRing 3
Solubility: LogS -1.924 nHRing 0
Solubility: LogP 2.221 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 29 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 15 No. of Aromatic Carbocycles 2
nHetero 0 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 0 No. of Arom Bond 12
nHA 0 APOL 34.3851
nHD 0 BPOL 14.0449
QED 0.604
Synth 3.077
Natural Product Likeliness 2.389
NR-PPAR-gamma 0.038
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.003
Pgp-sub 0
HIA 0.002
CACO-2 -4.306
MDCK 0.0000196
BBB 0.707
PPB 0.606296
VDSS 1.565
FU 0.492551
CYP1A2-inh 0.061
CYP1A2-sub 0.438
CYP2c19-inh 0.061
CYP2c19-sub 0.755
CYP2c9-inh 0.064
CYP2c9-sub 0.815
CYP2d6-inh 0.006
CYP2d6-sub 0.591
CYP3a4-inh 0.019
CYP3a4-sub 0.262
CL 9.197
T12 0.746
hERG 0.007
Ames 0.029
ROA 0.029
SkinSen 0.924
Carcinogencity 0.81
EI 0.986
Respiratory 0.858
NR-Aromatase 0.026
Antiviral No
Prediction 0.578207