Chemoinformaics analysis of [1-(CARBAMOYLAMINO)-2-METHYLPROPYL]UREA


Molecular Weight 174.204 nRot 3
Heavy Atom Molecular Weight 160.092 nRig 18
Exact Molecular Weight 174.112 nRing 0
Solubility: LogS -4.712 nHRing 0
Solubility: LogP 3.276 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 26 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 12 No. of Aromatic Carbocycles 0
nHetero 6 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 6 No. of Saturated Rings 0
No. of Nitrogen atom 4 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 25.3591
nHD 4 BPOL 15.7809
QED 0.655
Synth 2.22
Natural Product Likeliness 0.768
NR-PPAR-gamma 0.182
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 1
Pgp-sub 0.001
HIA 0.007
CACO-2 -4.66
MDCK 0.0000549
BBB 0.096
PPB 0.713683
VDSS 0.955
FU 0.242135
CYP1A2-inh 0.618
CYP1A2-sub 0.981
CYP2c19-inh 0.737
CYP2c19-sub 0.867
CYP2c9-inh 0.682
CYP2c9-sub 0.925
CYP2d6-inh 0.08
CYP2d6-sub 0.941
CYP3a4-inh 0.813
CYP3a4-sub 0.571
CL 6.749
T12 0.59
hERG 0.045
Ames 0.333
ROA 0.132
SkinSen 0.071
Carcinogencity 0.032
EI 0.072
Respiratory 0.108
NR-Aromatase 0.868
Antiviral No
Prediction 0.851024