MMsINC Database Search


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MMsINC code: MMs02640681

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=[N+]([O-])c1ccc(cc1)CN(C)C1CCCCC1

InChI:

InChI=1/C14H20N2O2/c1-15(13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)16(17)18/h7-10,13H,2-6,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.494 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -3.5177	SlogP: 3.6257	Reactive groups: 0

Topological Properties
Globularity: 0.0720441	Sterimol/B1: 2.03077	Sterimol/B2: 3.07261	Sterimol/B3: 3.64358
Sterimol/B4: 5.73078	Sterimol/L: 15.5099

Surface and Volume Properties
Accessible surface: 475.462	Positive charged surface: 304.057	Negative charged surface: 171.405	Volume: 251
Hydrophobic surface: 387.386	Hydrophilic surface: 88.076

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02640682
PUBCHEM-ZINC00215736