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MMsINC code: MMs03194113

Type: Neutral
Formula: C₁₅H₂₂N₂O₂

SMILES:

O=C(NCCCCc1ccccc1)C(=O)NCCC

InChI:

InChI=1/C15H22N2O2/c1-2-11-16-14(18)15(19)17-12-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.1368 kcal/mol

Physical Properties
Molecular Weight: 262.353 g/mol	logS: -3.01102	SlogP: 1.65167	Reactive groups: 0

Topological Properties
Globularity: 0.0291439	Sterimol/B1: 3.24197	Sterimol/B2: 3.34388	Sterimol/B3: 3.64645
Sterimol/B4: 3.68534	Sterimol/L: 20.7819

Surface and Volume Properties
Accessible surface: 571.19	Positive charged surface: 390.072	Negative charged surface: 181.118	Volume: 279.375
Hydrophobic surface: 442.568	Hydrophilic surface: 128.622

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.