Chemoinformaics analysis of Hydrazinecarboxamide, 2-(2-methylcyclohexylidene)-


Molecular Weight 169.228 nRot 1
Heavy Atom Molecular Weight 154.108 nRig 8
Exact Molecular Weight 169.122 nRing 1
Solubility: LogS -2.317 nHRing 0
Solubility: LogP 1.809 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 27 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 12 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 15 No. of Saturated Hetero Cycles 0
No. of Carbon atom 8 No. of Saturated Rings 1
No. of Nitrogen atom 3 No. of Arom Atom 0
No. of Oxygen atom 1 No. of Arom Bond 0
nHA 2 APOL 27.4639
nHD 2 BPOL 15.9161
QED 0.569
Synth 3.074
Natural Product Likeliness -0.754
NR-PPAR-gamma 0.009
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.297
HIA 0.005
CACO-2 -4.849
MDCK 0.000013
BBB 0.999
PPB 0.60568
VDSS 0.984
FU 0.333651
CYP1A2-inh 0.169
CYP1A2-sub 0.3
CYP2c19-inh 0.027
CYP2c19-sub 0.538
CYP2c9-inh 0.006
CYP2c9-sub 0.632
CYP2d6-inh 0.004
CYP2d6-sub 0.355
CYP3a4-inh 0.022
CYP3a4-sub 0.196
CL 5.078
T12 0.756
hERG 0.018
Ames 0.897
ROA 0.807
SkinSen 0.3
Carcinogencity 0.949
EI 0.043
Respiratory 0.561
NR-Aromatase 0.006
Antiviral No
Prediction 0.914883