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

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Chemoinformaics analysis of METHYL-AMINE


Physiochemical Properties
Molecular Weight 31.058 nRot 0
Heavy Atom Molecular Weight 26.018 nRig 0
Exact Molecular Weight 31.0422 nRing 0
Solubility: LogS 1.148 nHRing 0
Solubility: LogP -0.857 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 7 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 2 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 5 No. of Saturated Hetero Cycles 0
No. of Carbon atom 1 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 1 APOL 6.10396
nHD 1 BPOL 4.44603
Medicinal Chemistry Properties
QED 0.385
Synth 2.996
Natural Product Likeliness 0.01
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.008
HIA 0.006
CACO-2 -5.068
Distribution
MDCK 0.00185916
BBB 0.713
PPB 0.0565603
VDSS 1.156
Metabolism
FU 0.906335
CYP1A2-inh 0.183
CYP1A2-sub 0.423
CYP2c19-inh 0.024
CYP2c19-sub 0.411
CYP2c9-inh 0.005
CYP2c9-sub 0.39
CYP2d6-inh 0.004
CYP2d6-sub 0.863
CYP3a4-inh 0.004
CYP3a4-sub 0.174
Excretion
CL 6.87
T12 0.717
Toxicity
hERG 0.021
Ames 0.097
ROA 0.942
SkinSen 0.644
Carcinogencity 0.555
EI 0.413
Respiratory 0.922
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.910667
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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