Chemoinformaics analysis of (phenylmethyl ) - (CAS) Benzylhydrazine -


Molecular Weight 195.093 nRot 2
Heavy Atom Molecular Weight 182.997 nRig 6
Exact Molecular Weight 194.038 nRing 1
Solubility: LogS 0.895 nHRing 0
Solubility: LogP 0.372 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 23 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 11 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 7 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 6
No. of Oxygen atom 0 No. of Arom Bond 6
nHA 2 APOL 26.2515
nHD 2 BPOL 11.9185
QED 0.446
Synth 1.669
Natural Product Likeliness -0.665
NR-PPAR-gamma 0.003
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.009
HIA 0.005
CACO-2 -4.364
MDCK 0.0000661
BBB 0.965
PPB 0.288295
VDSS 4.775
FU 0.629426
CYP1A2-inh 0.971
CYP1A2-sub 0.296
CYP2c19-inh 0.473
CYP2c19-sub 0.763
CYP2c9-inh 0.046
CYP2c9-sub 0.31
CYP2d6-inh 0.824
CYP2d6-sub 0.27
CYP3a4-inh 0.309
CYP3a4-sub 0.347
CL 9.712
T12 0.84
hERG 0.041
Ames 0.632
ROA 0.919
SkinSen 0.616
Carcinogencity 0.553
EI 0.787
Respiratory 0.96
NR-Aromatase 0.005
Antiviral No
Prediction 0.769851