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MMsINC code: MMs02641498

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=[N+]([O-])c1ccccc1CN(CC1CC1)CCC

InChI:

InChI=1/C14H20N2O2/c1-2-9-15(10-12-7-8-12)11-13-5-3-4-6-14(13)16(17)18/h3-6,12H,2,7-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9792 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -3.20425	SlogP: 3.4832	Reactive groups: 0

Topological Properties
Globularity: 0.198205	Sterimol/B1: 2.10191	Sterimol/B2: 3.47649	Sterimol/B3: 4.46069
Sterimol/B4: 8.30365	Sterimol/L: 12.8307

Surface and Volume Properties
Accessible surface: 481.605	Positive charged surface: 305.228	Negative charged surface: 176.377	Volume: 255.375
Hydrophobic surface: 368.763	Hydrophilic surface: 112.842

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

MMs02641499
PUBCHEM-ZINC00219374