OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of Tetrazol-5-amine


Physiochemical Properties
Molecular Weight 85.07 nRot 0
Heavy Atom Molecular Weight 82.046 nRig 6
Exact Molecular Weight 85.0388 nRing 1
Solubility: LogS -0.824 nHRing 1
Solubility: LogP -2.226 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 9 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 6 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 3 No. of Saturated Hetero Cycles 0
No. of Carbon atom 1 No. of Saturated Rings 0
No. of Nitrogen atom 5 No. of Arom Atom 5
No. of Oxygen atom 0 No. of Arom Bond 5
nHA 4 APOL 9.17038
nHD 2 BPOL 3.00962
Medicinal Chemistry Properties
QED 0.362
Synth 5.063
Natural Product Likeliness -0.342
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.993
HIA 0.056
CACO-2 -6.016
Distribution
MDCK 0.00000764
BBB 0.596
PPB 0.0913285
VDSS 0.953
Metabolism
FU 0.771165
CYP1A2-inh 0.002
CYP1A2-sub 0.618
CYP2c19-inh 0.05
CYP2c19-sub 0.048
CYP2c9-inh 0.025
CYP2c9-sub 0.357
CYP2d6-inh 0.002
CYP2d6-sub 0.083
CYP3a4-inh 0.001
CYP3a4-sub 0.058
Excretion
CL 3.181
T12 0.854
Toxicity
hERG 0.016
Ames 0.487
ROA 0.033
SkinSen 0.408
Carcinogencity 0.81
EI 0.995
Respiratory 0.901
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.905
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