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

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Chemoinformaics analysis of DIMETHYL-AMINE


Physiochemical Properties
Molecular Weight 45.085 nRot 0
Heavy Atom Molecular Weight 38.029 nRig 0
Exact Molecular Weight 45.0578 nRing 0
Solubility: LogS 1.073 nHRing 0
Solubility: LogP -0.252 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 10 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 3 No. of Aromatic Carbocycles 0
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 7 No. of Saturated Hetero Cycles 0
No. of Carbon atom 2 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 9.10755
nHD 1 BPOL 7.59245
Medicinal Chemistry Properties
QED 0.399
Synth 2.216
Natural Product Likeliness -0.169
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.002
HIA 0.007
CACO-2 -4.821
Distribution
MDCK 0.0000168
BBB 0.702
PPB 0.0827002
VDSS 1.893
Metabolism
FU 0.888958
CYP1A2-inh 0.05
CYP1A2-sub 0.309
CYP2c19-inh 0.027
CYP2c19-sub 0.48
CYP2c9-inh 0.005
CYP2c9-sub 0.651
CYP2d6-inh 0.004
CYP2d6-sub 0.858
CYP3a4-inh 0.004
CYP3a4-sub 0.124
Excretion
CL 6.336
T12 0.712
Toxicity
hERG 0.021
Ames 0.034
ROA 0.253
SkinSen 0.686
Carcinogencity 0.051
EI 0.318
Respiratory 0.908
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.978983
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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