Chemoinformaics analysis of N-[4-(ACRIDIN-9-YLAMINO)-3-METHOXYPHENYL]METHANESULFONAMIDE


Molecular Weight 393.468 nRot 5
Heavy Atom Molecular Weight 374.316 nRig 25
Exact Molecular Weight 393.115 nRing 4
Solubility: LogS -4.423 nHRing 1
Solubility: LogP 3.402 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 4
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 47 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 28 No. of Aromatic Carbocycles 3
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 No. of Saturated Rings 0
No. of Nitrogen atom 3 No. of Arom Atom 20
No. of Oxygen atom 3 No. of Arom Bond 22
nHA 5 APOL 56.3451
nHD 2 BPOL 29.7329
QED 0.515
Synth 2.469
Natural Product Likeliness -0.859
NR-PPAR-gamma 0.102
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.618
Pgp-sub 0.993
HIA 0.008
CACO-2 -5.743
MDCK 0.00000872
BBB 0.033
PPB 0.972984
VDSS 0.568
FU 0.00882139
CYP1A2-inh 0.992
CYP1A2-sub 0.923
CYP2c19-inh 0.952
CYP2c19-sub 0.164
CYP2c9-inh 0.907
CYP2c9-sub 0.921
CYP2d6-inh 0.937
CYP2d6-sub 0.867
CYP3a4-inh 0.903
CYP3a4-sub 0.919
CL 2.138
T12 0.274
hERG 0.668
Ames 0.94
ROA 0.765
SkinSen 0.753
Carcinogencity 0.541
EI 0.08
Respiratory 0.97
NR-Aromatase 0.014
Antiviral Yes
Prediction 0.858864